1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one

C11H16N2O2 — CID 80581469

IUPAC1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one
SMILESCC(C)C(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-8(2)10(14)7-12-5-6-13(11(12)15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyDWJFOYKSSUEAOQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.21
Rot. Bonds4

About 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one

1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one (PubChem CID 80581469) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one
PubChem CID80581469
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one
SMILESCC(C)C(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-8(2)10(14)7-12-5-6-13(11(12)15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyDWJFOYKSSUEAOQ-UHFFFAOYSA-N
XLogP1.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one (CID 80581469) is 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one is CC(C)C(=O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one?
The InChIKey is DWJFOYKSSUEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)10(14)7-12-5-6-13(11(12)15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one?
1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methyl-2-oxobutyl)imidazol-2-one is sourced from PubChem (CID 80581469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).