3-ethanimidoyl-4-hydroxycyclopentan-1-one

C7H11NO2 — CID 123651904

IUPAC3-ethanimidoyl-4-hydroxycyclopentan-1-one
SMILES[H]/N=C(\C)C1CC(=O)CC1O
InChIInChI=1S/C7H11NO2/c1-4(8)6-2-5(9)3-7(6)10/h6-8,10H,2-3H2,1H3/b8-4+
InChIKeyBYJNQUNVRRACFN-XBXARRHUSA-N
MW141.17 g/mol
LogP0.37
Rot. Bonds1

About 3-ethanimidoyl-4-hydroxycyclopentan-1-one

3-ethanimidoyl-4-hydroxycyclopentan-1-one (PubChem CID 123651904) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-ethanimidoyl-4-hydroxycyclopentan-1-one.

Molecular Properties

Compound Name3-ethanimidoyl-4-hydroxycyclopentan-1-one
PubChem CID123651904
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-ethanimidoyl-4-hydroxycyclopentan-1-one
SMILES[H]/N=C(\C)C1CC(=O)CC1O
InChIInChI=1S/C7H11NO2/c1-4(8)6-2-5(9)3-7(6)10/h6-8,10H,2-3H2,1H3/b8-4+
InChIKeyBYJNQUNVRRACFN-XBXARRHUSA-N
XLogP0.37
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethanimidoyl-4-hydroxycyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-4-hydroxycyclopentan-1-one?
The IUPAC name of 3-ethanimidoyl-4-hydroxycyclopentan-1-one (CID 123651904) is 3-ethanimidoyl-4-hydroxycyclopentan-1-one.
What is the SMILES notation for 3-ethanimidoyl-4-hydroxycyclopentan-1-one?
The canonical SMILES for 3-ethanimidoyl-4-hydroxycyclopentan-1-one is [H]/N=C(\C)C1CC(=O)CC1O.
What is the InChIKey of 3-ethanimidoyl-4-hydroxycyclopentan-1-one?
The InChIKey is BYJNQUNVRRACFN-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(8)6-2-5(9)3-7(6)10/h6-8,10H,2-3H2,1H3/b8-4+.
What are the key properties of 3-ethanimidoyl-4-hydroxycyclopentan-1-one?
3-ethanimidoyl-4-hydroxycyclopentan-1-one has a molecular weight of 141.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-4-hydroxycyclopentan-1-one is sourced from PubChem (CID 123651904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).