3-cyclopropyl-1H-imidazol-2-one

C6H8N2O — CID 80578909

IUPAC3-cyclopropyl-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CC1
InChIInChI=1S/C6H8N2O/c9-6-7-3-4-8(6)5-1-2-5/h3-5H,1-2H2,(H,7,9)
InChIKeyWBNZKFGQKRLITH-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.51
Rot. Bonds1

About 3-cyclopropyl-1H-imidazol-2-one

3-cyclopropyl-1H-imidazol-2-one (PubChem CID 80578909) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-cyclopropyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1H-imidazol-2-one
PubChem CID80578909
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3-cyclopropyl-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CC1
InChIInChI=1S/C6H8N2O/c9-6-7-3-4-8(6)5-1-2-5/h3-5H,1-2H2,(H,7,9)
InChIKeyWBNZKFGQKRLITH-UHFFFAOYSA-N
XLogP0.51
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1H-imidazol-2-one?
The IUPAC name of 3-cyclopropyl-1H-imidazol-2-one (CID 80578909) is 3-cyclopropyl-1H-imidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-1H-imidazol-2-one?
The canonical SMILES for 3-cyclopropyl-1H-imidazol-2-one is O=c1[nH]ccn1C1CC1.
What is the InChIKey of 3-cyclopropyl-1H-imidazol-2-one?
The InChIKey is WBNZKFGQKRLITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c9-6-7-3-4-8(6)5-1-2-5/h3-5H,1-2H2,(H,7,9).
What are the key properties of 3-cyclopropyl-1H-imidazol-2-one?
3-cyclopropyl-1H-imidazol-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1H-imidazol-2-one is sourced from PubChem (CID 80578909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).