1-butanoylimidazolidin-2-one

C7H12N2O2 — CID 12771230

IUPAC1-butanoylimidazolidin-2-one
SMILESCCCC(=O)N1CCNC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-6(10)9-5-4-8-7(9)11/h2-5H2,1H3,(H,8,11)
InChIKeyLDNYYPXAVLSOAD-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.34
Rot. Bonds2

About 1-butanoylimidazolidin-2-one

1-butanoylimidazolidin-2-one (PubChem CID 12771230) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-butanoylimidazolidin-2-one.

Molecular Properties

Compound Name1-butanoylimidazolidin-2-one
PubChem CID12771230
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-butanoylimidazolidin-2-one
SMILESCCCC(=O)N1CCNC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-6(10)9-5-4-8-7(9)11/h2-5H2,1H3,(H,8,11)
InChIKeyLDNYYPXAVLSOAD-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide
CID 135804938
3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylpropanoic acid
CID 43237236
1-(2-chlorobutanoyl)imidazolidin-2-one
CID 16786747
1-[2-(3,5-dimethylpiperazin-1-yl)acetyl]imidazolidin-2-one
CID 63872731
1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one
CID 66218972
1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one
CID 134008026
methyl 2-oxoimidazolidine-1-carboxylate
CID 11788357
propyl 4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
CID 24615008
methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate
CID 78983614
N-iodo-N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide
CID 19905885
1-[2-[4-(ethylaminomethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
CID 80552515
N-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylphenyl]acetamide
CID 27196270

Frequently Asked Questions

What is the IUPAC name of 1-butanoylimidazolidin-2-one?
The IUPAC name of 1-butanoylimidazolidin-2-one (CID 12771230) is 1-butanoylimidazolidin-2-one.
What is the SMILES notation for 1-butanoylimidazolidin-2-one?
The canonical SMILES for 1-butanoylimidazolidin-2-one is CCCC(=O)N1CCNC1=O.
What is the InChIKey of 1-butanoylimidazolidin-2-one?
The InChIKey is LDNYYPXAVLSOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-6(10)9-5-4-8-7(9)11/h2-5H2,1H3,(H,8,11).
What are the key properties of 1-butanoylimidazolidin-2-one?
1-butanoylimidazolidin-2-one has a molecular weight of 156.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoylimidazolidin-2-one is sourced from PubChem (CID 12771230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).