(Z)-3-pyridin-3-ylprop-2-enenitrile

C8H6N2 — CID 10441725

IUPAC(Z)-3-pyridin-3-ylprop-2-enenitrile
SMILESN#C/C=C\c1cccnc1
InChIInChI=1S/C8H6N2/c9-5-1-3-8-4-2-6-10-7-8/h1-4,6-7H/b3-1-
InChIKeyCNHMTMHYYONLOV-IWQZZHSRSA-N
MW130.15 g/mol
LogP1.62
Rot. Bonds1

About (Z)-3-pyridin-3-ylprop-2-enenitrile

(Z)-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 10441725) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (Z)-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-pyridin-3-ylprop-2-enenitrile
PubChem CID10441725
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name(Z)-3-pyridin-3-ylprop-2-enenitrile
SMILESN#C/C=C\c1cccnc1
InChIInChI=1S/C8H6N2/c9-5-1-3-8-4-2-6-10-7-8/h1-4,6-7H/b3-1-
InChIKeyCNHMTMHYYONLOV-IWQZZHSRSA-N
XLogP1.62
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-pyridin-3-ylprop-2-enenitrile (CID 10441725) is (Z)-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-pyridin-3-ylprop-2-enenitrile is N#C/C=C\c1cccnc1.
What is the InChIKey of (Z)-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is CNHMTMHYYONLOV-IWQZZHSRSA-N. The full InChI is InChI=1S/C8H6N2/c9-5-1-3-8-4-2-6-10-7-8/h1-4,6-7H/b3-1-.
What are the key properties of (Z)-3-pyridin-3-ylprop-2-enenitrile?
(Z)-3-pyridin-3-ylprop-2-enenitrile has a molecular weight of 130.15 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 10441725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).