2-imino-5-methylcyclopentan-1-one

C6H9NO — CID 119097697

IUPAC2-imino-5-methylcyclopentan-1-one
SMILES[H]/N=C1\CCC(C)C1=O
InChIInChI=1S/C6H9NO/c1-4-2-3-5(7)6(4)8/h4,7H,2-3H2,1H3/b7-5+
InChIKeyZVWSOPAHZWDALQ-FNORWQNLSA-N
MW111.14 g/mol
LogP1.01
Rot. Bonds

About 2-imino-5-methylcyclopentan-1-one

2-imino-5-methylcyclopentan-1-one (PubChem CID 119097697) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-imino-5-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-imino-5-methylcyclopentan-1-one
PubChem CID119097697
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-imino-5-methylcyclopentan-1-one
SMILES[H]/N=C1\CCC(C)C1=O
InChIInChI=1S/C6H9NO/c1-4-2-3-5(7)6(4)8/h4,7H,2-3H2,1H3/b7-5+
InChIKeyZVWSOPAHZWDALQ-FNORWQNLSA-N
XLogP1.01
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-imino-5-methylcyclopentan-1-one?
The IUPAC name of 2-imino-5-methylcyclopentan-1-one (CID 119097697) is 2-imino-5-methylcyclopentan-1-one.
What is the SMILES notation for 2-imino-5-methylcyclopentan-1-one?
The canonical SMILES for 2-imino-5-methylcyclopentan-1-one is [H]/N=C1\CCC(C)C1=O.
What is the InChIKey of 2-imino-5-methylcyclopentan-1-one?
The InChIKey is ZVWSOPAHZWDALQ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-2-3-5(7)6(4)8/h4,7H,2-3H2,1H3/b7-5+.
What are the key properties of 2-imino-5-methylcyclopentan-1-one?
2-imino-5-methylcyclopentan-1-one has a molecular weight of 111.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-methylcyclopentan-1-one is sourced from PubChem (CID 119097697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).