3-(cyclopropylmethyl)-1H-imidazol-2-one

C7H10N2O — CID 103125040

IUPAC3-(cyclopropylmethyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CC1CC1
InChIInChI=1S/C7H10N2O/c10-7-8-3-4-9(7)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,8,10)
InChIKeyQZINULUXJLDBPC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.59
Rot. Bonds2

About 3-(cyclopropylmethyl)-1H-imidazol-2-one

3-(cyclopropylmethyl)-1H-imidazol-2-one (PubChem CID 103125040) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1H-imidazol-2-one
PubChem CID103125040
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-(cyclopropylmethyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CC1CC1
InChIInChI=1S/C7H10N2O/c10-7-8-3-4-9(7)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,8,10)
InChIKeyQZINULUXJLDBPC-UHFFFAOYSA-N
XLogP0.59
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-fluorobutyl)-1H-imidazol-2-one
CID 69179192
3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one
CID 141356430
3-(4-fluorobutyl)-1H-imidazol-2-one
CID 130593371
1-propyl-1,3-dihydro-2H-imidazol-2-one
CID 15242001
3-butyl-1H-imidazol-2-one
CID 15242003
3-(3-methylbutyl)-1H-imidazol-2-one
CID 21026308
3-(2,3-dimethylbutyl)-1H-imidazol-2-one
CID 21336390
1-cyclopropyl-1,3-dihydro-2H-imidazol-2-one
CID 80578909
1-Isobutyl-1,3-dihydro-2h-imidazol-2-one
CID 103125006
1-Ethenyl-3-methyl-1-(2-methylpropyl)urea
CID 123979798
ethane;3-(2-methylpropyl)-1H-imidazol-2-one
CID 141950428
3-(2,3-dimethylbutyl)-1H-imidazol-2-one;ethane
CID 141950476

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(cyclopropylmethyl)-1H-imidazol-2-one (CID 103125040) is 3-(cyclopropylmethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)-1H-imidazol-2-one is O=c1[nH]ccn1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-1H-imidazol-2-one?
The InChIKey is QZINULUXJLDBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-7-8-3-4-9(7)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,8,10).
What are the key properties of 3-(cyclopropylmethyl)-1H-imidazol-2-one?
3-(cyclopropylmethyl)-1H-imidazol-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).