2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one

C10H15NO — CID 13137238

IUPAC2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one
SMILESC=CCNC1C=C(CC)C(=O)C1
InChIInChI=1S/C10H15NO/c1-3-5-11-9-6-8(4-2)10(12)7-9/h3,6,9,11H,1,4-5,7H2,2H3
InChIKeyAQZDLAHKVSRQPD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.44
Rot. Bonds4

About 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one

2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one (PubChem CID 13137238) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one
PubChem CID13137238
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one
SMILESC=CCNC1C=C(CC)C(=O)C1
InChIInChI=1S/C10H15NO/c1-3-5-11-9-6-8(4-2)10(12)7-9/h3,6,9,11H,1,4-5,7H2,2H3
InChIKeyAQZDLAHKVSRQPD-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one 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 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one?
The IUPAC name of 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one (CID 13137238) is 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one?
The canonical SMILES for 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one is C=CCNC1C=C(CC)C(=O)C1.
What is the InChIKey of 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one?
The InChIKey is AQZDLAHKVSRQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-11-9-6-8(4-2)10(12)7-9/h3,6,9,11H,1,4-5,7H2,2H3.
What are the key properties of 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one?
2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(prop-2-enylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 13137238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).