(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

C13H17N — CID 70658369

IUPAC(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)[C@H]1NCCCC1C2
InChIInChI=1S/C13H17N/c1-9-4-5-10-8-11-3-2-6-14-13(11)12(10)7-9/h4-5,7,11,13-14H,2-3,6,8H2,1H3/t11?,13-/m0/s1
InChIKeyVSVBOFKDUIODGF-YUZLPWPTSA-N
MW187.29 g/mol
LogP2.59
Rot. Bonds

About (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (PubChem CID 70658369) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
PubChem CID70658369
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)[C@H]1NCCCC1C2
InChIInChI=1S/C13H17N/c1-9-4-5-10-8-11-3-2-6-14-13(11)12(10)7-9/h4-5,7,11,13-14H,2-3,6,8H2,1H3/t11?,13-/m0/s1
InChIKeyVSVBOFKDUIODGF-YUZLPWPTSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The IUPAC name of (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (CID 70658369) is (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.
What is the SMILES notation for (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The canonical SMILES for (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is Cc1ccc2c(c1)[C@H]1NCCCC1C2.
What is the InChIKey of (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The InChIKey is VSVBOFKDUIODGF-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H17N/c1-9-4-5-10-8-11-3-2-6-14-13(11)12(10)7-9/h4-5,7,11,13-14H,2-3,6,8H2,1H3/t11?,13-/m0/s1.
What are the key properties of (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine has a molecular weight of 187.29 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is sourced from PubChem (CID 70658369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).