(E)-N-(cyanomethyl)pent-2-enamide

C7H10N2O — CID 131236211

IUPAC(E)-N-(cyanomethyl)pent-2-enamide
SMILESCC/C=C/C(=O)NCC#N
InChIInChI=1S/C7H10N2O/c1-2-3-4-7(10)9-6-5-8/h3-4H,2,6H2,1H3,(H,9,10)/b4-3+
InChIKeyOGQFTCNWXZERMH-ONEGZZNKSA-N
MW138.17 g/mol
LogP0.59
Rot. Bonds3

About (E)-N-(cyanomethyl)pent-2-enamide

(E)-N-(cyanomethyl)pent-2-enamide (PubChem CID 131236211) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (E)-N-(cyanomethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyanomethyl)pent-2-enamide
PubChem CID131236211
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(E)-N-(cyanomethyl)pent-2-enamide
SMILESCC/C=C/C(=O)NCC#N
InChIInChI=1S/C7H10N2O/c1-2-3-4-7(10)9-6-5-8/h3-4H,2,6H2,1H3,(H,9,10)/b4-3+
InChIKeyOGQFTCNWXZERMH-ONEGZZNKSA-N
XLogP0.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', '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)-N-(cyanomethyl)pent-2-enamide?
The IUPAC name of (E)-N-(cyanomethyl)pent-2-enamide (CID 131236211) is (E)-N-(cyanomethyl)pent-2-enamide.
What is the SMILES notation for (E)-N-(cyanomethyl)pent-2-enamide?
The canonical SMILES for (E)-N-(cyanomethyl)pent-2-enamide is CC/C=C/C(=O)NCC#N.
What is the InChIKey of (E)-N-(cyanomethyl)pent-2-enamide?
The InChIKey is OGQFTCNWXZERMH-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-4-7(10)9-6-5-8/h3-4H,2,6H2,1H3,(H,9,10)/b4-3+.
What are the key properties of (E)-N-(cyanomethyl)pent-2-enamide?
(E)-N-(cyanomethyl)pent-2-enamide has a molecular weight of 138.17 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyanomethyl)pent-2-enamide is sourced from PubChem (CID 131236211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).