N-cyano-N-methylpent-4-enamide

C7H10N2O — CID 126991914

IUPACN-cyano-N-methylpent-4-enamide
SMILESC=CCCC(=O)N(C)C#N
InChIInChI=1S/C7H10N2O/c1-3-4-5-7(10)9(2)6-8/h3H,1,4-5H2,2H3
InChIKeyUSQWEAQQZMTFEZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.89
Rot. Bonds3

About N-cyano-N-methylpent-4-enamide

N-cyano-N-methylpent-4-enamide (PubChem CID 126991914) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-cyano-N-methylpent-4-enamide.

Molecular Properties

Compound NameN-cyano-N-methylpent-4-enamide
PubChem CID126991914
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-cyano-N-methylpent-4-enamide
SMILESC=CCCC(=O)N(C)C#N
InChIInChI=1S/C7H10N2O/c1-3-4-5-7(10)9(2)6-8/h3H,1,4-5H2,2H3
InChIKeyUSQWEAQQZMTFEZ-UHFFFAOYSA-N
XLogP0.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylhexa-4,5-dienamide
CID 11804836
N,N-Dimethylpent-4-enamide
CID 13308678
N,N-dimethylbut-3-enamide
CID 11007856
N-cyano-N-methylbut-3-enamide
CID 57077404
N,N-dimethyl(113C)but-3-enamide
CID 173211500

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-methylpent-4-enamide?
The IUPAC name of N-cyano-N-methylpent-4-enamide (CID 126991914) is N-cyano-N-methylpent-4-enamide.
What is the SMILES notation for N-cyano-N-methylpent-4-enamide?
The canonical SMILES for N-cyano-N-methylpent-4-enamide is C=CCCC(=O)N(C)C#N.
What is the InChIKey of N-cyano-N-methylpent-4-enamide?
The InChIKey is USQWEAQQZMTFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-4-5-7(10)9(2)6-8/h3H,1,4-5H2,2H3.
What are the key properties of N-cyano-N-methylpent-4-enamide?
N-cyano-N-methylpent-4-enamide has a molecular weight of 138.17 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-methylpent-4-enamide is sourced from PubChem (CID 126991914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).