2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole

C109H120N12O5 — CID 161332572

IUPAC2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole
SMILESC=C1N(C)c2ccccc2C1(C)C.CC1Cc2ccccc2N1.COc1ccccc1N1CCNCC1.Cn1c(-c2ccccc2)cc2ccccc21.Cn1ccc2cc(O)ccc21.Cn1ccc2ccccc21.O=C(O)C1Cc2ccccc2N1.OCCc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCN2
InChIInChI=1S/C15H13N.C12H15N.C11H16N2O.C10H11NO.C9H9NO2.C9H9NO.C9H9N.2C9H11N.C8H9N.C8H7N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;12-6-5-8-7-11-10-4-2-1-3-9(8)10;11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-10-5-4-7-6-8(11)2-3-9(7)10;1-10-7-6-8-4-2-3-5-9(8)10;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-8-7(3-1)5-6-9-8/h2-11H,1H3;5-8H,1H2,2-4H3;2-5,12H,6-9H2,1H3;1-4,7,11-12H,5-6H2;1-4,8,10H,5H2,(H,11,12);2-6,11H,1H3;2-7H,1H3;2-5,7,10H,6H2,1H3;1-2,4,6,10H,3,5,7H2;1-4,9H,5-6H2;1-6,9H
InChIKeyVLPRGLCEEAEDTF-UHFFFAOYSA-N
MW1678.24 g/mol
LogP22.66
Rot. Bonds6

About 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole

2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole (PubChem CID 161332572) has the molecular formula C109H120N12O5 and a molecular weight of 1678.24 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole
PubChem CID161332572
Molecular FormulaC109H120N12O5
Molecular Weight1678.24 g/mol
Exact Mass1676.95
IUPAC Name2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole
SMILESC=C1N(C)c2ccccc2C1(C)C.CC1Cc2ccccc2N1.COc1ccccc1N1CCNCC1.Cn1c(-c2ccccc2)cc2ccccc21.Cn1ccc2cc(O)ccc21.Cn1ccc2ccccc21.O=C(O)C1Cc2ccccc2N1.OCCc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCN2
InChIInChI=1S/C15H13N.C12H15N.C11H16N2O.C10H11NO.C9H9NO2.C9H9NO.C9H9N.2C9H11N.C8H9N.C8H7N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;12-6-5-8-7-11-10-4-2-1-3-9(8)10;11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-10-5-4-7-6-8(11)2-3-9(7)10;1-10-7-6-8-4-2-3-5-9(8)10;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-8-7(3-1)5-6-9-8/h2-11H,1H3;5-8H,1H2,2-4H3;2-5,12H,6-9H2,1H3;1-4,7,11-12H,5-6H2;1-4,8,10H,5H2,(H,11,12);2-6,11H,1H3;2-7H,1H3;2-5,7,10H,6H2,1H3;1-2,4,6,10H,3,5,7H2;1-4,9H,5-6H2;1-6,9H
InChIKeyVLPRGLCEEAEDTF-UHFFFAOYSA-N
XLogP22.66
TPSA199.99 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001678.24
LogP ≤ 522.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole with MolForge

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Related Compounds

(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]ethylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 162669729
(2S)-2-[[4-[[(2S)-2-[[4-[4-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]butylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201779
(2S)-2-[[4-[[(2S)-2-[[4-[8-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]octylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201786
(2S)-2-[[4-[[(2S)-2-[[4-[10-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]decylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202169
(2S)-2-[[4-[[(2S)-2-[[4-[6-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]hexylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202403
(2S)-2-[[4-[[(2S)-2-[[4-[12-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]dodecylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202466
2-[2,4-bis[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-pyridin-3-ylindol-3-yl]acetic acid;methane;methyl 2-[4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-1,2-dimethylindol-3-yl]acetate;methyl 2-[4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-2-methyl-1H-indol-3-yl]acetate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-3-phenylpropanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-3-pyridin-3-ylpropanoate
CID 157687755
2-[2,4-bis[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-pyridin-3-ylindol-3-yl]acetic acid;methyl 2-[4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-1,2-dimethylindol-3-yl]acetate;methyl 2-[4-[(dimethylamino)methyl]-6-fluoro-5-hydroxy-2-methyl-1H-indol-3-yl]acetate;methyl 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)-3-pyridin-3-ylpropanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-3-phenylpropanoate
CID 161080046
(2S)-2-[[[4-[[4-[2-[2-[2-[2-[[4-[4-[N-[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]-C-hydroxycarbonimidoyl]-2-[2-(1H-indol-3-yl)ethoxy]phenyl]imino-1,4-dihydroxybutylidene]amino]ethoxy]ethoxy]ethoxy]ethylimino]-1,4-dihydroxybutylidene]amino]-3-[2-(1H-indol-3-yl)ethoxy]phenyl]-hydroxymethylidene]amino]-3-(1H-indol-3-yl)propanoic acid
CID 132547207
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid;3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-methyl-1H-indole-5-carboxylic acid
CID 67814762
(2S)-N-[4-[bis[4-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]propanoyl]amino]phenyl]methyl]phenyl]-3-(1H-indol-3-yl)-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 88078448
3-[8-(Hydroxymethyl)-2-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;[2-methoxy-10-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl]methyl acetate
CID 88453833

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole?
The IUPAC name of 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole (CID 161332572) is 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole.
What is the SMILES notation for 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole?
The canonical SMILES for 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole is C=C1N(C)c2ccccc2C1(C)C.CC1Cc2ccccc2N1.COc1ccccc1N1CCNCC1.Cn1c(-c2ccccc2)cc2ccccc21.Cn1ccc2cc(O)ccc21.Cn1ccc2ccccc21.O=C(O)C1Cc2ccccc2N1.OCCc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole?
The InChIKey is VLPRGLCEEAEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.C12H15N.C11H16N2O.C10H11NO.C9H9NO2.C9H9NO.C9H9N.2C9H11N.C8H9N.C8H7N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;12-6-5-8-7-11-10-4-2-1-3-9(8)10;11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-10-5-4-7-6-8(11)2-3-9(7)10;1-10-7-6-8-4-2-3-5-9(8)10;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-8-7(3-1)5-6-9-8/h2-11H,1H3;5-8H,1H2,2-4H3;2-5,12H,6-9H2,1H3;1-4,7,11-12H,5-6H2;1-4,8,10H,5H2,(H,11,12);2-6,11H,1H3;2-7H,1H3;2-5,7,10H,6H2,1H3;1-2,4,6,10H,3,5,7H2;1-4,9H,5-6H2;1-6,9H.
What are the key properties of 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole?
2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole has a molecular weight of 1678.24 g/mol, XLogP of 22.66, 6 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole is sourced from PubChem (CID 161332572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).