1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one

C9H14N2O2 — CID 11665505

IUPAC1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one
SMILESC=CC(=O)N1CCN(C(C)C)C1=O
InChIInChI=1S/C9H14N2O2/c1-4-8(12)11-6-5-10(7(2)3)9(11)13/h4,7H,1,5-6H2,2-3H3
InChIKeyHUFQIUJZOOXZAC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.85
Rot. Bonds2

About 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one

1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one (PubChem CID 11665505) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one
PubChem CID11665505
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one
SMILESC=CC(=O)N1CCN(C(C)C)C1=O
InChIInChI=1S/C9H14N2O2/c1-4-8(12)11-6-5-10(7(2)3)9(11)13/h4,7H,1,5-6H2,2-3H3
InChIKeyHUFQIUJZOOXZAC-UHFFFAOYSA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-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 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one (CID 11665505) is 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one is C=CC(=O)N1CCN(C(C)C)C1=O.
What is the InChIKey of 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one?
The InChIKey is HUFQIUJZOOXZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-8(12)11-6-5-10(7(2)3)9(11)13/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one?
1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-prop-2-enoylimidazolidin-2-one is sourced from PubChem (CID 11665505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).