2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine

C12H15N — CID 67018612

IUPAC2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine
SMILESC1=CCC2C(=C1)C=C1NCCCC12
InChIInChI=1S/C12H15N/c1-2-5-10-9(4-1)8-12-11(10)6-3-7-13-12/h1-2,4,8,10-11,13H,3,5-7H2
InChIKeyCINJODFGIBPBSD-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.39
Rot. Bonds

About 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine

2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine (PubChem CID 67018612) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine
PubChem CID67018612
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine
SMILESC1=CCC2C(=C1)C=C1NCCCC12
InChIInChI=1S/C12H15N/c1-2-5-10-9(4-1)8-12-11(10)6-3-7-13-12/h1-2,4,8,10-11,13H,3,5-7H2
InChIKeyCINJODFGIBPBSD-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine?
The IUPAC name of 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine (CID 67018612) is 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine.
What is the SMILES notation for 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine?
The canonical SMILES for 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine is C1=CCC2C(=C1)C=C1NCCCC12.
What is the InChIKey of 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine?
The InChIKey is CINJODFGIBPBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-5-10-9(4-1)8-12-11(10)6-3-7-13-12/h1-2,4,8,10-11,13H,3,5-7H2.
What are the key properties of 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine?
2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine has a molecular weight of 173.26 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,4b,5-hexahydro-1H-indeno[2,1-b]pyridine is sourced from PubChem (CID 67018612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).