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

C12H15N — CID 67906248

IUPAC2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine
SMILESC1=CC2=C3CNCCC3CC2C=C1
InChIInChI=1S/C12H15N/c1-2-4-11-9(3-1)7-10-5-6-13-8-12(10)11/h1-4,9-10,13H,5-8H2
InChIKeyZWFAETMIBFSMFV-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.04
Rot. Bonds

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

2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine (PubChem CID 67906248) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine.

Molecular Properties

Compound Name2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine
PubChem CID67906248
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine
SMILESC1=CC2=C3CNCCC3CC2C=C1
InChIInChI=1S/C12H15N/c1-2-4-11-9(3-1)7-10-5-6-13-8-12(10)11/h1-4,9-10,13H,5-8H2
InChIKeyZWFAETMIBFSMFV-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine?
The IUPAC name of 2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine (CID 67906248) is 2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine.
What is the SMILES notation for 2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine?
The canonical SMILES for 2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine is C1=CC2=C3CNCCC3CC2C=C1.
What is the InChIKey of 2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine?
The InChIKey is ZWFAETMIBFSMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-11-9(3-1)7-10-5-6-13-8-12(10)11/h1-4,9-10,13H,5-8H2.
What are the key properties of 2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine?
2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine has a molecular weight of 173.26 g/mol, XLogP of 2.04, 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,5,5a-hexahydro-1H-indeno[1,2-c]pyridine is sourced from PubChem (CID 67906248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).