2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone

C14H17ClN2O — CID 82747550

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Cl)N1CCC2CCCCC21
InChIInChI=1S/C14H17ClN2O/c15-12-5-7-16-9-11(12)14(18)17-8-6-10-3-1-2-4-13(10)17/h5,7,9-10,13H,1-4,6,8H2
InChIKeyBSHGQSKGZHFMQX-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.14
Rot. Bonds1

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone (PubChem CID 82747550) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone
PubChem CID82747550
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Cl)N1CCC2CCCCC21
InChIInChI=1S/C14H17ClN2O/c15-12-5-7-16-9-11(12)14(18)17-8-6-10-3-1-2-4-13(10)17/h5,7,9-10,13H,1-4,6,8H2
InChIKeyBSHGQSKGZHFMQX-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone 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

6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
N-Benzyl-6-chloro-nicotinamide
CID 857488
N3-Benzyl-2-chloronicotinamide
CID 2794855
(2-chlorophenyl)[4-(1H-pyrrol-1-yl)piperidino]methanone
CID 2822453
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 6622480
6-Chloro-N-phenethyl-nicotinamide
CID 857477
(E)-4-chloro-1-isobutyl-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one
CID 54586673
N,N-dibenzyl-2-chloropyridine-3-carboxamide
CID 4186152
2-chloro-N-cyclohexylnicotinamide
CID 3151864
1-(2-chloropyridin-3-yl)-2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)ethan-1-one
CID 2330560
5-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 2842640
2-Methyl-1-(3-pyridinylcarbonyl)indoline
CID 2970589

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone (CID 82747550) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone is O=C(c1cnccc1Cl)N1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone?
The InChIKey is BSHGQSKGZHFMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-5-7-16-9-11(12)14(18)17-8-6-10-3-1-2-4-13(10)17/h5,7,9-10,13H,1-4,6,8H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone has a molecular weight of 264.76 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 82747550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).