(3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole

C13H16ClNO — CID 15984073

IUPAC(3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCOc1cc2c(cc1Cl)[C@H](C)[C@@H]1CNC[C@H]21
InChIInChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1
InChIKeyLANLSVUKINPKJD-BKDNQFJXSA-N
MW237.73 g/mol
LogP2.77
Rot. Bonds1

About (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole

(3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (PubChem CID 15984073) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.

Molecular Properties

Compound Name(3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
PubChem CID15984073
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCOc1cc2c(cc1Cl)[C@H](C)[C@@H]1CNC[C@H]21
InChIInChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1
InChIKeyLANLSVUKINPKJD-BKDNQFJXSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Chloro-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10036629
(5S)-7-chloro-8-methoxy-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 24773651
(5R)-7-chloro-8-methoxy-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 24773895
7-chloro-8-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 24773650
(3aS,4R,8bS)-6-chloro-7-ethoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 44414116
(3aS,4R,8bS)-6-chloro-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrol-7-ol
CID 44414117
(3aS,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 44414219
7-chloro-8-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 118712367
(4aR,9bS)-7-chloro-8-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 118706196
5-(4-Fluorobenzyloxy)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexahydroindeno[1,2-c]pyrrole
CID 11631327
5-(3-Fluorobenzyloxy)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexahydroindeno[1,2-c]pyrrole
CID 11674359
5-(2-Fluorobenzyloxy)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexahydroindeno[1,2-c]pyrrole
CID 11716959

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The IUPAC name of (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (CID 15984073) is (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.
What is the SMILES notation for (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The canonical SMILES for (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is COc1cc2c(cc1Cl)[C@H](C)[C@@H]1CNC[C@H]21.
What is the InChIKey of (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The InChIKey is LANLSVUKINPKJD-BKDNQFJXSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1.
What are the key properties of (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
(3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole has a molecular weight of 237.73 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,8bS)-6-chloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is sourced from PubChem (CID 15984073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).