2-methyl-5-propan-2-ylimidazolidin-4-one

C7H14N2O — CID 55287744

IUPAC2-methyl-5-propan-2-ylimidazolidin-4-one
SMILESCC1NC(=O)C(C(C)C)N1
InChIInChI=1S/C7H14N2O/c1-4(2)6-7(10)9-5(3)8-6/h4-6,8H,1-3H3,(H,9,10)
InChIKeyYQAIXJSMRLFEIM-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.08
Rot. Bonds1

About 2-methyl-5-propan-2-ylimidazolidin-4-one

2-methyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 55287744) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylimidazolidin-4-one
PubChem CID55287744
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-methyl-5-propan-2-ylimidazolidin-4-one
SMILESCC1NC(=O)C(C(C)C)N1
InChIInChI=1S/C7H14N2O/c1-4(2)6-7(10)9-5(3)8-6/h4-6,8H,1-3H3,(H,9,10)
InChIKeyYQAIXJSMRLFEIM-UHFFFAOYSA-N
XLogP0.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one
CID 82407658
3,6-bis(1-aminoethyl)piperazine-2,5-dione
CID 169008895
(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 162935703
(3S,9R,15S,21R,27S,33R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 16667711
(3S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CID 14147354
(3R,6S)-3-[(1S)-1-hydroxyethyl]-6-methylpiperazine-2,5-dione
CID 129321124
4-methyl-1-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one
CID 170015785
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
6-methyl-1-(3-methylbutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959782
3-butan-2-yl-6-methylpiperazine-2,5-dione
CID 45359405
3-cyclobutyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83254569
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-methyl-5-propan-2-ylimidazolidin-4-one (CID 55287744) is 2-methyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-methyl-5-propan-2-ylimidazolidin-4-one is CC1NC(=O)C(C(C)C)N1.
What is the InChIKey of 2-methyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is YQAIXJSMRLFEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4(2)6-7(10)9-5(3)8-6/h4-6,8H,1-3H3,(H,9,10).
What are the key properties of 2-methyl-5-propan-2-ylimidazolidin-4-one?
2-methyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 142.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 55287744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).