4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride

C20H22ClNO — CID 10449145

IUPAC4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride
SMILESCc1ccc2c(c1)[C@@H](c1ccc(C=O)cc1)[C@@H]1CCNC[C@H]21.Cl
InChIInChI=1S/C20H21NO.ClH/c1-13-2-7-16-18(10-13)20(17-8-9-21-11-19(16)17)15-5-3-14(12-22)4-6-15;/h2-7,10,12,17,19-21H,8-9,11H2,1H3;1H/t17-,19-,20+;/m1./s1
InChIKeyGDKHEGMJEWQXPW-WJEPRCRRSA-N
MW327.86 g/mol
LogP4.07
Rot. Bonds2

About 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride

4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride (PubChem CID 10449145) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride.

Molecular Properties

Compound Name4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride
PubChem CID10449145
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride
SMILESCc1ccc2c(c1)[C@@H](c1ccc(C=O)cc1)[C@@H]1CCNC[C@H]21.Cl
InChIInChI=1S/C20H21NO.ClH/c1-13-2-7-16-18(10-13)20(17-8-9-21-11-19(16)17)15-5-3-14(12-22)4-6-15;/h2-7,10,12,17,19-21H,8-9,11H2,1H3;1H/t17-,19-,20+;/m1./s1
InChIKeyGDKHEGMJEWQXPW-WJEPRCRRSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride 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

methyl 4-(7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl)benzoate
CID 70251232
4-pyrrolidin-3-ylbenzaldehyde
CID 84766958
(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one
CID 59083233
4-[7-methyl-3-(4-methylphenyl)-3,4-dihydro-2H-thiochromen-4-yl]benzaldehyde
CID 59109882
(3S)-3-(2-iodo-5-methylphenyl)pyrrolidine
CID 130664930
3-(2,5-dimethylphenyl)-4-methylpiperidine
CID 66273596
2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine
CID 10086446
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409
3-(3-bromophenyl)-4-(2,5-dimethylphenyl)piperidine
CID 79430904
3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
CID 79454812
4-(3-methylcyclohexyl)-3-(4-methylphenyl)piperidine
CID 79442205
3-(2,4-dimethylphenyl)-N,N-dimethylpiperidin-4-amine
CID 117000283

Frequently Asked Questions

What is the IUPAC name of 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride?
The IUPAC name of 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride (CID 10449145) is 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride.
What is the SMILES notation for 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride?
The canonical SMILES for 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride is Cc1ccc2c(c1)[C@@H](c1ccc(C=O)cc1)[C@@H]1CCNC[C@H]21.Cl.
What is the InChIKey of 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride?
The InChIKey is GDKHEGMJEWQXPW-WJEPRCRRSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c1-13-2-7-16-18(10-13)20(17-8-9-21-11-19(16)17)15-5-3-14(12-22)4-6-15;/h2-7,10,12,17,19-21H,8-9,11H2,1H3;1H/t17-,19-,20+;/m1./s1.
What are the key properties of 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride?
4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride is sourced from PubChem (CID 10449145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).