2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile

C12H12N2 — CID 174282228

IUPAC2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile
SMILESC=Cc1cncc(CC#N)c1/C=C\C
InChIInChI=1S/C12H12N2/c1-3-5-12-10(4-2)8-14-9-11(12)6-7-13/h3-5,8-9H,2,6H2,1H3/b5-3-
InChIKeyBSODEDJLTXJRRX-HYXAFXHYSA-N
MW184.24 g/mol
LogP2.82
Rot. Bonds3

About 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile

2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile (PubChem CID 174282228) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile
PubChem CID174282228
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile
SMILESC=Cc1cncc(CC#N)c1/C=C\C
InChIInChI=1S/C12H12N2/c1-3-5-12-10(4-2)8-14-9-11(12)6-7-13/h3-5,8-9H,2,6H2,1H3/b5-3-
InChIKeyBSODEDJLTXJRRX-HYXAFXHYSA-N
XLogP2.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile (CID 174282228) is 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile is C=Cc1cncc(CC#N)c1/C=C\C.
What is the InChIKey of 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile?
The InChIKey is BSODEDJLTXJRRX-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-5-12-10(4-2)8-14-9-11(12)6-7-13/h3-5,8-9H,2,6H2,1H3/b5-3-.
What are the key properties of 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile?
2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 174282228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).