2-[4-(3H-inden-1-yl)butyl]pyridine

C18H19N — CID 22758135

IUPAC2-[4-(3H-inden-1-yl)butyl]pyridine
SMILESC1=C(CCCCc2ccccn2)c2ccccc2C1
InChIInChI=1S/C18H19N/c1(3-9-17-10-5-6-14-19-17)7-15-12-13-16-8-2-4-11-18(15)16/h2,4-6,8,10-12,14H,1,3,7,9,13H2
InChIKeyVZVVTBSPPCLSHE-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.43
Rot. Bonds5

About 2-[4-(3H-inden-1-yl)butyl]pyridine

2-[4-(3H-inden-1-yl)butyl]pyridine (PubChem CID 22758135) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[4-(3H-inden-1-yl)butyl]pyridine.

Molecular Properties

Compound Name2-[4-(3H-inden-1-yl)butyl]pyridine
PubChem CID22758135
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-[4-(3H-inden-1-yl)butyl]pyridine
SMILESC1=C(CCCCc2ccccn2)c2ccccc2C1
InChIInChI=1S/C18H19N/c1(3-9-17-10-5-6-14-19-17)7-15-12-13-16-8-2-4-11-18(15)16/h2,4-6,8,10-12,14H,1,3,7,9,13H2
InChIKeyVZVVTBSPPCLSHE-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3H-inden-1-yl)butyl]pyridine?
The IUPAC name of 2-[4-(3H-inden-1-yl)butyl]pyridine (CID 22758135) is 2-[4-(3H-inden-1-yl)butyl]pyridine.
What is the SMILES notation for 2-[4-(3H-inden-1-yl)butyl]pyridine?
The canonical SMILES for 2-[4-(3H-inden-1-yl)butyl]pyridine is C1=C(CCCCc2ccccn2)c2ccccc2C1.
What is the InChIKey of 2-[4-(3H-inden-1-yl)butyl]pyridine?
The InChIKey is VZVVTBSPPCLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1(3-9-17-10-5-6-14-19-17)7-15-12-13-16-8-2-4-11-18(15)16/h2,4-6,8,10-12,14H,1,3,7,9,13H2.
What are the key properties of 2-[4-(3H-inden-1-yl)butyl]pyridine?
2-[4-(3H-inden-1-yl)butyl]pyridine has a molecular weight of 249.36 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3H-inden-1-yl)butyl]pyridine is sourced from PubChem (CID 22758135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).