3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide

C12H17NO2 — CID 70320992

IUPAC3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)C(=O)C(C=C)CC1CC1
InChIInChI=1S/C12H17NO2/c1-3-7-13-12(15)11(14)10(4-2)8-9-5-6-9/h3-4,9-10H,1-2,5-8H2,(H,13,15)
InChIKeyDPDRQSWBOJXOFB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.46
Rot. Bonds7

About 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide

3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide (PubChem CID 70320992) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide
PubChem CID70320992
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)C(=O)C(C=C)CC1CC1
InChIInChI=1S/C12H17NO2/c1-3-7-13-12(15)11(14)10(4-2)8-9-5-6-9/h3-4,9-10H,1-2,5-8H2,(H,13,15)
InChIKeyDPDRQSWBOJXOFB-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide?
The IUPAC name of 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide (CID 70320992) is 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide?
The canonical SMILES for 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide is C=CCNC(=O)C(=O)C(C=C)CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide?
The InChIKey is DPDRQSWBOJXOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-7-13-12(15)11(14)10(4-2)8-9-5-6-9/h3-4,9-10H,1-2,5-8H2,(H,13,15).
What are the key properties of 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide?
3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide has a molecular weight of 207.27 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-oxo-N-prop-2-enylpent-4-enamide is sourced from PubChem (CID 70320992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).