(Z)-2-formylpent-2-enenitrile

C6H7NO — CID 166820774

IUPAC(Z)-2-formylpent-2-enenitrile
SMILESCC/C=C(/C#N)C=O
InChIInChI=1S/C6H7NO/c1-2-3-6(4-7)5-8/h3,5H,2H2,1H3/b6-3-
InChIKeyWYSFIHXBQSRPFM-UTCJRWHESA-N
MW109.13 g/mol
LogP1.05
Rot. Bonds2

About (Z)-2-formylpent-2-enenitrile

(Z)-2-formylpent-2-enenitrile (PubChem CID 166820774) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is (Z)-2-formylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-formylpent-2-enenitrile
PubChem CID166820774
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name(Z)-2-formylpent-2-enenitrile
SMILESCC/C=C(/C#N)C=O
InChIInChI=1S/C6H7NO/c1-2-3-6(4-7)5-8/h3,5H,2H2,1H3/b6-3-
InChIKeyWYSFIHXBQSRPFM-UTCJRWHESA-N
XLogP1.05
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-formylpent-2-enenitrile?
The IUPAC name of (Z)-2-formylpent-2-enenitrile (CID 166820774) is (Z)-2-formylpent-2-enenitrile.
What is the SMILES notation for (Z)-2-formylpent-2-enenitrile?
The canonical SMILES for (Z)-2-formylpent-2-enenitrile is CC/C=C(/C#N)C=O.
What is the InChIKey of (Z)-2-formylpent-2-enenitrile?
The InChIKey is WYSFIHXBQSRPFM-UTCJRWHESA-N. The full InChI is InChI=1S/C6H7NO/c1-2-3-6(4-7)5-8/h3,5H,2H2,1H3/b6-3-.
What are the key properties of (Z)-2-formylpent-2-enenitrile?
(Z)-2-formylpent-2-enenitrile has a molecular weight of 109.13 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-formylpent-2-enenitrile is sourced from PubChem (CID 166820774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).