(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

C20H23N — CID 24839459

IUPAC(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCc1ccccc1[C@@H]1c2ccccc2[C@H]2[C@@H]1CCCN2C
InChIInChI=1S/C20H23N/c1-14-8-3-4-9-15(14)19-16-10-5-6-11-17(16)20-18(19)12-7-13-21(20)2/h3-6,8-11,18-20H,7,12-13H2,1-2H3/t18-,19-,20+/m1/s1
InChIKeyXBVLZQCASBEHIB-AQNXPRMDSA-N
MW277.41 g/mol
LogP4.52
Rot. Bonds1

About (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (PubChem CID 24839459) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
PubChem CID24839459
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCc1ccccc1[C@@H]1c2ccccc2[C@H]2[C@@H]1CCCN2C
InChIInChI=1S/C20H23N/c1-14-8-3-4-9-15(14)19-16-10-5-6-11-17(16)20-18(19)12-7-13-21(20)2/h3-6,8-11,18-20H,7,12-13H2,1-2H3/t18-,19-,20+/m1/s1
InChIKeyXBVLZQCASBEHIB-AQNXPRMDSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine with MolForge

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Related Compounds

7-chloro-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 70630590
2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol
CID 54425276
5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767464
7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 22767545
7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 54307557
1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767551
(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 15685658
5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
CID 22767533
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 70630852
5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 22767435
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
CID 95564439

Frequently Asked Questions

What is the IUPAC name of (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The IUPAC name of (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (CID 24839459) is (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.
What is the SMILES notation for (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The canonical SMILES for (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is Cc1ccccc1[C@@H]1c2ccccc2[C@H]2[C@@H]1CCCN2C.
What is the InChIKey of (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The InChIKey is XBVLZQCASBEHIB-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H23N/c1-14-8-3-4-9-15(14)19-16-10-5-6-11-17(16)20-18(19)12-7-13-21(20)2/h3-6,8-11,18-20H,7,12-13H2,1-2H3/t18-,19-,20+/m1/s1.
What are the key properties of (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine has a molecular weight of 277.41 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is sourced from PubChem (CID 24839459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).