2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile

C10H16N2 — CID 12957468

IUPAC2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile
SMILESCCC1=CCCN(C(C)C#N)C1
InChIInChI=1S/C10H16N2/c1-3-10-5-4-6-12(8-10)9(2)7-11/h5,9H,3-4,6,8H2,1-2H3
InChIKeyNKRUCUYMSKUYCJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.94
Rot. Bonds2

About 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile

2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile (PubChem CID 12957468) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile
PubChem CID12957468
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile
SMILESCCC1=CCCN(C(C)C#N)C1
InChIInChI=1S/C10H16N2/c1-3-10-5-4-6-12(8-10)9(2)7-11/h5,9H,3-4,6,8H2,1-2H3
InChIKeyNKRUCUYMSKUYCJ-UHFFFAOYSA-N
XLogP1.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile?
The IUPAC name of 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile (CID 12957468) is 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile.
What is the SMILES notation for 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile?
The canonical SMILES for 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile is CCC1=CCCN(C(C)C#N)C1.
What is the InChIKey of 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile?
The InChIKey is NKRUCUYMSKUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-10-5-4-6-12(8-10)9(2)7-11/h5,9H,3-4,6,8H2,1-2H3.
What are the key properties of 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile?
2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile has a molecular weight of 164.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)propanenitrile is sourced from PubChem (CID 12957468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).