1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one

C9H16N2O2 — CID 64867372

IUPAC1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one
SMILESCCC(=O)C(C)N1CCN(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-8(12)7(2)11-6-5-10(3)9(11)13/h7H,4-6H2,1-3H3
InChIKeyCCTVHZUUEKMEJT-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.72
Rot. Bonds3

About 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one

1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one (PubChem CID 64867372) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one
PubChem CID64867372
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one
SMILESCCC(=O)C(C)N1CCN(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-8(12)7(2)11-6-5-10(3)9(11)13/h7H,4-6H2,1-3H3
InChIKeyCCTVHZUUEKMEJT-UHFFFAOYSA-N
XLogP0.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one (CID 64867372) is 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one is CCC(=O)C(C)N1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one?
The InChIKey is CCTVHZUUEKMEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8(12)7(2)11-6-5-10(3)9(11)13/h7H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one?
1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 64867372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).