2-methyl-3-methyliminocyclopentan-1-one

C7H11NO — CID 123264685

IUPAC2-methyl-3-methyliminocyclopentan-1-one
SMILESC/N=C1\CCC(=O)C1C
InChIInChI=1S/C7H11NO/c1-5-6(8-2)3-4-7(5)9/h5H,3-4H2,1-2H3/b8-6+
InChIKeyACBJFIHYOWBENN-SOFGYWHQSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds

About 2-methyl-3-methyliminocyclopentan-1-one

2-methyl-3-methyliminocyclopentan-1-one (PubChem CID 123264685) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methyl-3-methyliminocyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-methyliminocyclopentan-1-one
PubChem CID123264685
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-methyl-3-methyliminocyclopentan-1-one
SMILESC/N=C1\CCC(=O)C1C
InChIInChI=1S/C7H11NO/c1-5-6(8-2)3-4-7(5)9/h5H,3-4H2,1-2H3/b8-6+
InChIKeyACBJFIHYOWBENN-SOFGYWHQSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
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 2-methyl-3-methyliminocyclopentan-1-one?
The IUPAC name of 2-methyl-3-methyliminocyclopentan-1-one (CID 123264685) is 2-methyl-3-methyliminocyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-methyliminocyclopentan-1-one?
The canonical SMILES for 2-methyl-3-methyliminocyclopentan-1-one is C/N=C1\CCC(=O)C1C.
What is the InChIKey of 2-methyl-3-methyliminocyclopentan-1-one?
The InChIKey is ACBJFIHYOWBENN-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-6(8-2)3-4-7(5)9/h5H,3-4H2,1-2H3/b8-6+.
What are the key properties of 2-methyl-3-methyliminocyclopentan-1-one?
2-methyl-3-methyliminocyclopentan-1-one has a molecular weight of 125.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methyliminocyclopentan-1-one is sourced from PubChem (CID 123264685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).