3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one

C11H15NO — CID 178137938

IUPAC3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one
SMILESC=C/N=C(\C=C/C)C1CCC(=O)C1
InChIInChI=1S/C11H15NO/c1-3-5-11(12-4-2)9-6-7-10(13)8-9/h3-5,9H,2,6-8H2,1H3/b5-3-,12-11+
InChIKeySOBLZBFQKZSZJY-YGMDRGJBSA-N
MW177.25 g/mol
LogP2.52
Rot. Bonds3

About 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one

3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one (PubChem CID 178137938) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one
PubChem CID178137938
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one
SMILESC=C/N=C(\C=C/C)C1CCC(=O)C1
InChIInChI=1S/C11H15NO/c1-3-5-11(12-4-2)9-6-7-10(13)8-9/h3-5,9H,2,6-8H2,1H3/b5-3-,12-11+
InChIKeySOBLZBFQKZSZJY-YGMDRGJBSA-N
XLogP2.52
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one?
The IUPAC name of 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one (CID 178137938) is 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one.
What is the SMILES notation for 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one?
The canonical SMILES for 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one is C=C/N=C(\C=C/C)C1CCC(=O)C1.
What is the InChIKey of 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one?
The InChIKey is SOBLZBFQKZSZJY-YGMDRGJBSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-5-11(12-4-2)9-6-7-10(13)8-9/h3-5,9H,2,6-8H2,1H3/b5-3-,12-11+.
What are the key properties of 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one?
3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one is sourced from PubChem (CID 178137938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).