2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen

C72H86BrN5O7 — CID 159249537

IUPAC2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen
SMILESCc1ccc2c(C3CCCC3)c(Br)n(C)c2c1.Cc1ccc2c(C3CCCC3)cn(C)c2c1.O=C(O)c1ccc2c(C3=CCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C1CCCC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C15H18BrN.C15H19N.C14H15NO2.C14H13NO2.C9H7NO2.C5H8O.3H2/c1-10-7-8-12-13(9-10)17(2)15(16)14(12)11-5-3-4-6-11;1-11-7-8-13-14(12-5-3-4-6-12)10-16(2)15(13)9-11;2*16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9;11-9(12)7-2-1-6-3-4-10-8(6)5-7;6-5-3-1-2-4-5;;;/h7-9,11H,3-6H2,1-2H3;7-10,12H,3-6H2,1-2H3;5-9,15H,1-4H2,(H,16,17);3,5-8,15H,1-2,4H2,(H,16,17);1-5,10H,(H,11,12);1-4H2;3*1H
InChIKeyKVCOHGHRMSAWBX-UHFFFAOYSA-N
MW1213.41 g/mol
LogP19.74
Rot. Bonds7

About 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen

2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen (PubChem CID 159249537) has the molecular formula C72H86BrN5O7 and a molecular weight of 1213.41 g/mol. Its IUPAC name is 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen.

Molecular Properties

Compound Name2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen
PubChem CID159249537
Molecular FormulaC72H86BrN5O7
Molecular Weight1213.41 g/mol
Exact Mass1211.57
IUPAC Name2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen
SMILESCc1ccc2c(C3CCCC3)c(Br)n(C)c2c1.Cc1ccc2c(C3CCCC3)cn(C)c2c1.O=C(O)c1ccc2c(C3=CCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C1CCCC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C15H18BrN.C15H19N.C14H15NO2.C14H13NO2.C9H7NO2.C5H8O.3H2/c1-10-7-8-12-13(9-10)17(2)15(16)14(12)11-5-3-4-6-11;1-11-7-8-13-14(12-5-3-4-6-12)10-16(2)15(13)9-11;2*16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9;11-9(12)7-2-1-6-3-4-10-8(6)5-7;6-5-3-1-2-4-5;;;/h7-9,11H,3-6H2,1-2H3;7-10,12H,3-6H2,1-2H3;5-9,15H,1-4H2,(H,16,17);3,5-8,15H,1-2,4H2,(H,16,17);1-5,10H,(H,11,12);1-4H2;3*1H
InChIKeyKVCOHGHRMSAWBX-UHFFFAOYSA-N
XLogP19.74
TPSA186.20 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.41
LogP ≤ 519.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen with MolForge

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Related Compounds

N-methyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-methyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-methyl-3-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propanamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2,2,2-trifluoroethyl)-1H-indole-6-carboxamide;3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2,2,2-trifluoroethyl)-1H-indole-6-carboxamide
CID 157776520
3-(3-Fluorophenyl)-1-methylindole-6-carboxylic acid;3-(4-fluorophenyl)-1-methylindole-6-carboxylic acid;1-methyl-3-phenylindole-6-carboxylic acid;1-methyl-3-[4-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 158063960
sodium;3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one;3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methane;methanolate;methyl 2-bromo-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)-1-methylindole-6-carboxylate;methyl 1-methyl-3-(4-oxocyclohexyl)indole-6-carboxylate;molecular bromine;molecular hydrogen
CID 158525625
3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one;3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methane;methyl 2-bromo-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)-1-methylindole-6-carboxylate;methyl 1-methyl-3-(4-oxocyclohexyl)indole-6-carboxylate;molecular bromine;molecular hydrogen
CID 161467040
1-but-3-enyl-3-cyclohexyl-7-ethenyl-4-methyl-2-phenylindole-6-carboxylic acid;1H-indole
CID 67375811
1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
CID 68560913
3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
CID 68560921
2-(2-bromo-3-cyclohexyl-6-methoxycarbonylindol-1-yl)acetic acid;methyl 2-bromo-3-cyclohexyl-1-ethylindole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate
CID 90834064
12-[4-[7-Carboxy-16-[(propan-2-ylamino)methyl]-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaen-3-yl]cyclohexyl]-3-cyclohexyl-16-[(dimethylamino)methyl]-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylic acid
CID 143830831
2-[1-[5-[[3-formyl-2-[1-(1H-indol-3-yl)ethyl]-1H-indol-5-yl]methyl]-1H-indol-3-yl]ethyl]-5-[3-(1H-indol-2-ylmethyl)-1H-indol-5-yl]-1H-indole-3-carboxylic acid
CID 146190285
5-[[3-[1-(3-formyl-1H-indol-2-yl)ethyl]-1H-indol-6-yl]methyl]-2-[1-[5-[3-(hydroxymethyl)-2-(1H-indol-3-ylmethyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-1H-indole-3-carbaldehyde
CID 153352959
2-[1-(1H-indol-3-yl)ethyl]-1H-indole-3-carboxylic acid;2-(1H-indol-3-ylmethyl)-1H-indole
CID 153352960

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen?
The IUPAC name of 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen (CID 159249537) is 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen.
What is the SMILES notation for 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen?
The canonical SMILES for 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen is Cc1ccc2c(C3CCCC3)c(Br)n(C)c2c1.Cc1ccc2c(C3CCCC3)cn(C)c2c1.O=C(O)c1ccc2c(C3=CCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C1CCCC1.[H][H].[H][H].[H][H].
What is the InChIKey of 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen?
The InChIKey is KVCOHGHRMSAWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN.C15H19N.C14H15NO2.C14H13NO2.C9H7NO2.C5H8O.3H2/c1-10-7-8-12-13(9-10)17(2)15(16)14(12)11-5-3-4-6-11;1-11-7-8-13-14(12-5-3-4-6-12)10-16(2)15(13)9-11;2*16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9;11-9(12)7-2-1-6-3-4-10-8(6)5-7;6-5-3-1-2-4-5;;;/h7-9,11H,3-6H2,1-2H3;7-10,12H,3-6H2,1-2H3;5-9,15H,1-4H2,(H,16,17);3,5-8,15H,1-2,4H2,(H,16,17);1-5,10H,(H,11,12);1-4H2;3*1H.
What are the key properties of 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen?
2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen has a molecular weight of 1213.41 g/mol, XLogP of 19.74, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyclopentyl-1,6-dimethylindole;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1,6-dimethylindole;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;molecular hydrogen is sourced from PubChem (CID 159249537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).