(4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride

C23H30ClN — CID 10247654

IUPAC(4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride
SMILESCc1ccc([C@@H]2c3cc(C)ccc3[C@H]3CN(C(C)C)CC[C@@H]23)cc1.Cl
InChIInChI=1S/C23H29N.ClH/c1-15(2)24-12-11-20-22(14-24)19-10-7-17(4)13-21(19)23(20)18-8-5-16(3)6-9-18;/h5-10,13,15,20,22-23H,11-12,14H2,1-4H3;1H/t20-,22-,23+;/m1./s1
InChIKeyNQFMHSUHRFQMEE-QKBKGCIOSA-N
MW355.95 g/mol
LogP5.68
Rot. Bonds2

About (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride

(4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride (PubChem CID 10247654) has the molecular formula C23H30ClN and a molecular weight of 355.95 g/mol. Its IUPAC name is (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name(4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride
PubChem CID10247654
Molecular FormulaC23H30ClN
Molecular Weight355.95 g/mol
Exact Mass355.21
IUPAC Name(4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride
SMILESCc1ccc([C@@H]2c3cc(C)ccc3[C@H]3CN(C(C)C)CC[C@@H]23)cc1.Cl
InChIInChI=1S/C23H29N.ClH/c1-15(2)24-12-11-20-22(14-24)19-10-7-17(4)13-21(19)23(20)18-8-5-16(3)6-9-18;/h5-10,13,15,20,22-23H,11-12,14H2,1-4H3;1H/t20-,22-,23+;/m1./s1
InChIKeyNQFMHSUHRFQMEE-QKBKGCIOSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.95
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride?
The IUPAC name of (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride (CID 10247654) is (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride.
What is the SMILES notation for (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride?
The canonical SMILES for (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride is Cc1ccc([C@@H]2c3cc(C)ccc3[C@H]3CN(C(C)C)CC[C@@H]23)cc1.Cl.
What is the InChIKey of (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride?
The InChIKey is NQFMHSUHRFQMEE-QKBKGCIOSA-N. The full InChI is InChI=1S/C23H29N.ClH/c1-15(2)24-12-11-20-22(14-24)19-10-7-17(4)13-21(19)23(20)18-8-5-16(3)6-9-18;/h5-10,13,15,20,22-23H,11-12,14H2,1-4H3;1H/t20-,22-,23+;/m1./s1.
What are the key properties of (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride?
(4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride has a molecular weight of 355.95 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,9bS)-7-methyl-5-(4-methylphenyl)-2-propan-2-yl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine;hydrochloride is sourced from PubChem (CID 10247654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).