4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile

C9H14N2 — CID 54237297

IUPAC4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile
SMILESN#CCCCN1C=CCCC1
InChIInChI=1S/C9H14N2/c10-6-2-5-9-11-7-3-1-4-8-11/h3,7H,1-2,4-5,8-9H2
InChIKeyQNLRSIYGVXTZCW-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.90
Rot. Bonds3

About 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile

4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile (PubChem CID 54237297) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile
PubChem CID54237297
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile
SMILESN#CCCCN1C=CCCC1
InChIInChI=1S/C9H14N2/c10-6-2-5-9-11-7-3-1-4-8-11/h3,7H,1-2,4-5,8-9H2
InChIKeyQNLRSIYGVXTZCW-UHFFFAOYSA-N
XLogP1.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile?
The IUPAC name of 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile (CID 54237297) is 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile?
The canonical SMILES for 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile is N#CCCCN1C=CCCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile?
The InChIKey is QNLRSIYGVXTZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-6-2-5-9-11-7-3-1-4-8-11/h3,7H,1-2,4-5,8-9H2.
What are the key properties of 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile?
4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile has a molecular weight of 150.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile is sourced from PubChem (CID 54237297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).