1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one

C10H16N2O2 — CID 80581478

IUPAC1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one
SMILESCCC(C)C(=O)Cn1ccn(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-4-8(2)9(13)7-12-6-5-11(3)10(12)14/h5-6,8H,4,7H2,1-3H3
InChIKeyXVOLTMCRKCAKDQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.80
Rot. Bonds4

About 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one

1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one (PubChem CID 80581478) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one
PubChem CID80581478
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one
SMILESCCC(C)C(=O)Cn1ccn(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-4-8(2)9(13)7-12-6-5-11(3)10(12)14/h5-6,8H,4,7H2,1-3H3
InChIKeyXVOLTMCRKCAKDQ-UHFFFAOYSA-N
XLogP0.80
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one?
The IUPAC name of 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one (CID 80581478) is 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one.
What is the SMILES notation for 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one?
The canonical SMILES for 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one is CCC(C)C(=O)Cn1ccn(C)c1=O.
What is the InChIKey of 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one?
The InChIKey is XVOLTMCRKCAKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-8(2)9(13)7-12-6-5-11(3)10(12)14/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one?
1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-2-oxopentyl)imidazol-2-one is sourced from PubChem (CID 80581478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).