(4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine

C14H19N — CID 59542270

IUPAC(4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)C[C@]1(C)CCCN[C@H]21
InChIInChI=1S/C14H19N/c1-10-4-5-12-11(8-10)9-14(2)6-3-7-15-13(12)14/h4-5,8,13,15H,3,6-7,9H2,1-2H3/t13-,14+/m1/s1
InChIKeyZGGKCJKYFGQIBZ-KGLIPLIRSA-N
MW201.31 g/mol
LogP2.98
Rot. Bonds

About (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine

(4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine (PubChem CID 59542270) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name(4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine
PubChem CID59542270
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)C[C@]1(C)CCCN[C@H]21
InChIInChI=1S/C14H19N/c1-10-4-5-12-11(8-10)9-14(2)6-3-7-15-13(12)14/h4-5,8,13,15H,3,6-7,9H2,1-2H3/t13-,14+/m1/s1
InChIKeyZGGKCJKYFGQIBZ-KGLIPLIRSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine?
The IUPAC name of (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine (CID 59542270) is (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine.
What is the SMILES notation for (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine?
The canonical SMILES for (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine is Cc1ccc2c(c1)C[C@]1(C)CCCN[C@H]21.
What is the InChIKey of (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine?
The InChIKey is ZGGKCJKYFGQIBZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H19N/c1-10-4-5-12-11(8-10)9-14(2)6-3-7-15-13(12)14/h4-5,8,13,15H,3,6-7,9H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine?
(4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine has a molecular weight of 201.31 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine is sourced from PubChem (CID 59542270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).