2-(methyliminomethyl)cyclopentan-1-one

C7H11NO — CID 58502664

IUPAC2-(methyliminomethyl)cyclopentan-1-one
SMILESC/N=C/C1CCCC1=O
InChIInChI=1S/C7H11NO/c1-8-5-6-3-2-4-7(6)9/h5-6H,2-4H2,1H3/b8-5+
InChIKeyOJKMCYNKERQAMR-VMPITWQZSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds1

About 2-(methyliminomethyl)cyclopentan-1-one

2-(methyliminomethyl)cyclopentan-1-one (PubChem CID 58502664) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(methyliminomethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(methyliminomethyl)cyclopentan-1-one
PubChem CID58502664
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(methyliminomethyl)cyclopentan-1-one
SMILESC/N=C/C1CCCC1=O
InChIInChI=1S/C7H11NO/c1-8-5-6-3-2-4-7(6)9/h5-6H,2-4H2,1H3/b8-5+
InChIKeyOJKMCYNKERQAMR-VMPITWQZSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

2-Azoniabicyclo[2.2.1]hepta-1,2-dien-5-one
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1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
CID 91419936
3-Ethylimino-2-methylcyclopentan-1-one
CID 123173443
2-Methyl-3-methyliminocyclopentan-1-one
CID 123264685
3-(2-Methyliminoethyl)hexan-2-one
CID 142018323
2-(Methyliminomethyl)cyclopentane-1,3-dione
CID 7157374
2-(Ethyliminomethyl)cyclohexan-1-one
CID 7157401
2-Methyl-3-propyliminocyclopentan-1-one
CID 7420430
4-(3,4-dihydro-2H-pyrrol-4-yl)butan-2-one
CID 14081804
2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one
CID 23239989
4-Methyl-6-(2-methylpropylimino)hexan-3-one
CID 101916444
1-((2R,3R)-3-Methyl-3,4-dihydro-2H-pyrrol-2-yl)ethan-1-one
CID 168437476

Frequently Asked Questions

What is the IUPAC name of 2-(methyliminomethyl)cyclopentan-1-one?
The IUPAC name of 2-(methyliminomethyl)cyclopentan-1-one (CID 58502664) is 2-(methyliminomethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(methyliminomethyl)cyclopentan-1-one?
The canonical SMILES for 2-(methyliminomethyl)cyclopentan-1-one is C/N=C/C1CCCC1=O.
What is the InChIKey of 2-(methyliminomethyl)cyclopentan-1-one?
The InChIKey is OJKMCYNKERQAMR-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-5-6-3-2-4-7(6)9/h5-6H,2-4H2,1H3/b8-5+.
What are the key properties of 2-(methyliminomethyl)cyclopentan-1-one?
2-(methyliminomethyl)cyclopentan-1-one has a molecular weight of 125.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyliminomethyl)cyclopentan-1-one is sourced from PubChem (CID 58502664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).