3-ethylimino-2-methylcyclopentan-1-one

C8H13NO — CID 123173443

IUPAC3-ethylimino-2-methylcyclopentan-1-one
SMILESCC/N=C1\CCC(=O)C1C
InChIInChI=1S/C8H13NO/c1-3-9-7-4-5-8(10)6(7)2/h6H,3-5H2,1-2H3/b9-7+
InChIKeyLJCUZFRXGNWICB-VQHVLOKHSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

About 3-ethylimino-2-methylcyclopentan-1-one

3-ethylimino-2-methylcyclopentan-1-one (PubChem CID 123173443) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-ethylimino-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-ethylimino-2-methylcyclopentan-1-one
PubChem CID123173443
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-ethylimino-2-methylcyclopentan-1-one
SMILESCC/N=C1\CCC(=O)C1C
InChIInChI=1S/C8H13NO/c1-3-9-7-4-5-8(10)6(7)2/h6H,3-5H2,1-2H3/b9-7+
InChIKeyLJCUZFRXGNWICB-VQHVLOKHSA-N
XLogP1.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
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-ethylimino-2-methylcyclopentan-1-one?
The IUPAC name of 3-ethylimino-2-methylcyclopentan-1-one (CID 123173443) is 3-ethylimino-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-ethylimino-2-methylcyclopentan-1-one?
The canonical SMILES for 3-ethylimino-2-methylcyclopentan-1-one is CC/N=C1\CCC(=O)C1C.
What is the InChIKey of 3-ethylimino-2-methylcyclopentan-1-one?
The InChIKey is LJCUZFRXGNWICB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-9-7-4-5-8(10)6(7)2/h6H,3-5H2,1-2H3/b9-7+.
What are the key properties of 3-ethylimino-2-methylcyclopentan-1-one?
3-ethylimino-2-methylcyclopentan-1-one has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-2-methylcyclopentan-1-one is sourced from PubChem (CID 123173443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).