3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one

C9H16N2O2 — CID 131020239

IUPAC3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one
SMILESCC(C)CC(=O)N1CC(=O)N(C)C1
InChIInChI=1S/C9H16N2O2/c1-7(2)4-8(12)11-5-9(13)10(3)6-11/h7H,4-6H2,1-3H3
InChIKeyGGFOGYOLYHDPBE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.29
Rot. Bonds2

About 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one

3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one (PubChem CID 131020239) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one
PubChem CID131020239
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one
SMILESCC(C)CC(=O)N1CC(=O)N(C)C1
InChIInChI=1S/C9H16N2O2/c1-7(2)4-8(12)11-5-9(13)10(3)6-11/h7H,4-6H2,1-3H3
InChIKeyGGFOGYOLYHDPBE-UHFFFAOYSA-N
XLogP0.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110873631
1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
CID 130670161
4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]-1-methyl-1,4-diazepan-2-one
CID 102888805
3-methyl-1-(1-methylcyclopropanecarbonyl)imidazolidin-4-one
CID 130678726
(5S)-7-acetyl-2-methyl-10-(3-methylbutanoyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97438966
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one
CID 103156005
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
CID 110708065
1-(2-ethyloctanoyl)-3-methylimidazolidin-4-one
CID 75447497
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
3-methyl-1-[11-(3-methylbutanoyl)-19-propanoyl-3,7,11,15,19,23-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5(27),6,8,13,15,17(26),21(25),22-nonaen-3-yl]butan-1-one
CID 146568425

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one?
The IUPAC name of 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one (CID 131020239) is 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one.
What is the SMILES notation for 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one?
The canonical SMILES for 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one is CC(C)CC(=O)N1CC(=O)N(C)C1.
What is the InChIKey of 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one?
The InChIKey is GGFOGYOLYHDPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)4-8(12)11-5-9(13)10(3)6-11/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one?
3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one has a molecular weight of 184.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutanoyl)imidazolidin-4-one is sourced from PubChem (CID 131020239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).