1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone

C98H113N9O6 — CID 161083667

IUPAC1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
SMILESC=C1CCc2c1ccc1c2c2cc(C(C)=O)c(OC)cc2n1CCCN(C)C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCC1CCCN1C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CC[C@@H]1CCCN1C.C=C1c2ccc3c(c2CN1C)c1cc(C(C)=O)c(OC)cc1n3CCCN(C)C
InChIInChI=1S/2C25H28N2O.C24H29N3O2.C24H28N2O2/c2*1-16-6-8-21-20(16)9-11-24-25(21)22-15-18(17(2)28)7-10-23(22)27(24)14-12-19-5-4-13-26(19)3;1-15-17-8-9-21-24(20(17)14-26(15)5)19-12-18(16(2)28)23(29-6)13-22(19)27(21)11-7-10-25(3)4;1-15-7-8-18-17(15)9-10-21-24(18)20-13-19(16(2)27)23(28-5)14-22(20)26(21)12-6-11-25(3)4/h2*7,9-11,15,19H,1,4-6,8,12-14H2,2-3H3;8-9,12-13H,1,7,10-11,14H2,2-6H3;9-10,13-14H,1,6-8,11-12H2,2-5H3/t19-;;;/m0.../s1
InChIKeyUGFOPFCQXVVBRO-VLEZWVESSA-N
MW1513.04 g/mol
LogP20.17
Rot. Bonds20

About 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone

1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone (PubChem CID 161083667) has the molecular formula C98H113N9O6 and a molecular weight of 1513.04 g/mol. Its IUPAC name is 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone.

Molecular Properties

Compound Name1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
PubChem CID161083667
Molecular FormulaC98H113N9O6
Molecular Weight1513.04 g/mol
Exact Mass1511.88
IUPAC Name1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
SMILESC=C1CCc2c1ccc1c2c2cc(C(C)=O)c(OC)cc2n1CCCN(C)C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCC1CCCN1C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CC[C@@H]1CCCN1C.C=C1c2ccc3c(c2CN1C)c1cc(C(C)=O)c(OC)cc1n3CCCN(C)C
InChIInChI=1S/2C25H28N2O.C24H29N3O2.C24H28N2O2/c2*1-16-6-8-21-20(16)9-11-24-25(21)22-15-18(17(2)28)7-10-23(22)27(24)14-12-19-5-4-13-26(19)3;1-15-17-8-9-21-24(20(17)14-26(15)5)19-12-18(16(2)28)23(29-6)13-22(19)27(21)11-7-10-25(3)4;1-15-7-8-18-17(15)9-10-21-24(18)20-13-19(16(2)27)23(28-5)14-22(20)26(21)12-6-11-25(3)4/h2*7,9-11,15,19H,1,4-6,8,12-14H2,2-3H3;8-9,12-13H,1,7,10-11,14H2,2-6H3;9-10,13-14H,1,6-8,11-12H2,2-5H3/t19-;;;/m0.../s1
InChIKeyUGFOPFCQXVVBRO-VLEZWVESSA-N
XLogP20.17
TPSA122.66 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001513.04
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The IUPAC name of 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone (CID 161083667) is 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone.
What is the SMILES notation for 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The canonical SMILES for 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone is C=C1CCc2c1ccc1c2c2cc(C(C)=O)c(OC)cc2n1CCCN(C)C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCC1CCCN1C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CC[C@@H]1CCCN1C.C=C1c2ccc3c(c2CN1C)c1cc(C(C)=O)c(OC)cc1n3CCCN(C)C.
What is the InChIKey of 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The InChIKey is UGFOPFCQXVVBRO-VLEZWVESSA-N. The full InChI is InChI=1S/2C25H28N2O.C24H29N3O2.C24H28N2O2/c2*1-16-6-8-21-20(16)9-11-24-25(21)22-15-18(17(2)28)7-10-23(22)27(24)14-12-19-5-4-13-26(19)3;1-15-17-8-9-21-24(20(17)14-26(15)5)19-12-18(16(2)28)23(29-6)13-22(19)27(21)11-7-10-25(3)4;1-15-7-8-18-17(15)9-10-21-24(18)20-13-19(16(2)27)23(28-5)14-22(20)26(21)12-6-11-25(3)4/h2*7,9-11,15,19H,1,4-6,8,12-14H2,2-3H3;8-9,12-13H,1,7,10-11,14H2,2-6H3;9-10,13-14H,1,6-8,11-12H2,2-5H3/t19-;;;/m0.../s1.
What are the key properties of 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone has a molecular weight of 1513.04 g/mol, XLogP of 20.17, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone is sourced from PubChem (CID 161083667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).