(E)-2-cyano-4-methylpent-2-enamide

C7H10N2O — CID 10796810

IUPAC(E)-2-cyano-4-methylpent-2-enamide
SMILESCC(C)/C=C(\C#N)C(N)=O
InChIInChI=1S/C7H10N2O/c1-5(2)3-6(4-8)7(9)10/h3,5H,1-2H3,(H2,9,10)/b6-3+
InChIKeyBYTVVRHTBBWHHI-ZZXKWVIFSA-N
MW138.17 g/mol
LogP0.58
Rot. Bonds2

About (E)-2-cyano-4-methylpent-2-enamide

(E)-2-cyano-4-methylpent-2-enamide (PubChem CID 10796810) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (E)-2-cyano-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-4-methylpent-2-enamide
PubChem CID10796810
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(E)-2-cyano-4-methylpent-2-enamide
SMILESCC(C)/C=C(\C#N)C(N)=O
InChIInChI=1S/C7H10N2O/c1-5(2)3-6(4-8)7(9)10/h3,5H,1-2H3,(H2,9,10)/b6-3+
InChIKeyBYTVVRHTBBWHHI-ZZXKWVIFSA-N
XLogP0.58
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (E)-2-cyano-4-methylpent-2-enamide?
The IUPAC name of (E)-2-cyano-4-methylpent-2-enamide (CID 10796810) is (E)-2-cyano-4-methylpent-2-enamide.
What is the SMILES notation for (E)-2-cyano-4-methylpent-2-enamide?
The canonical SMILES for (E)-2-cyano-4-methylpent-2-enamide is CC(C)/C=C(\C#N)C(N)=O.
What is the InChIKey of (E)-2-cyano-4-methylpent-2-enamide?
The InChIKey is BYTVVRHTBBWHHI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(2)3-6(4-8)7(9)10/h3,5H,1-2H3,(H2,9,10)/b6-3+.
What are the key properties of (E)-2-cyano-4-methylpent-2-enamide?
(E)-2-cyano-4-methylpent-2-enamide has a molecular weight of 138.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-4-methylpent-2-enamide is sourced from PubChem (CID 10796810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).