1-acetyl-3-prop-2-enylimidazolidin-2-one

C8H12N2O2 — CID 164673671

IUPAC1-acetyl-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(C(C)=O)C1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-9-5-6-10(7(2)11)8(9)12/h3H,1,4-6H2,2H3
InChIKeyKHCBTRSTBVWAFY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.46
Rot. Bonds2

About 1-acetyl-3-prop-2-enylimidazolidin-2-one

1-acetyl-3-prop-2-enylimidazolidin-2-one (PubChem CID 164673671) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-acetyl-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-acetyl-3-prop-2-enylimidazolidin-2-one
PubChem CID164673671
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-acetyl-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(C(C)=O)C1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-9-5-6-10(7(2)11)8(9)12/h3H,1,4-6H2,2H3
InChIKeyKHCBTRSTBVWAFY-UHFFFAOYSA-N
XLogP0.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 1-acetyl-3-prop-2-enylimidazolidin-2-one (CID 164673671) is 1-acetyl-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-acetyl-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 1-acetyl-3-prop-2-enylimidazolidin-2-one is C=CCN1CCN(C(C)=O)C1=O.
What is the InChIKey of 1-acetyl-3-prop-2-enylimidazolidin-2-one?
The InChIKey is KHCBTRSTBVWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-9-5-6-10(7(2)11)8(9)12/h3H,1,4-6H2,2H3.
What are the key properties of 1-acetyl-3-prop-2-enylimidazolidin-2-one?
1-acetyl-3-prop-2-enylimidazolidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 164673671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).