1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one

C9H14N2O3 — CID 82850961

IUPAC1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one
SMILESO=c1n(CC(O)CO)ccn1C1CC1
InChIInChI=1S/C9H14N2O3/c12-6-8(13)5-10-3-4-11(9(10)14)7-1-2-7/h3-4,7-8,12-13H,1-2,5-6H2
InChIKeyRIHFPXDYASKAPV-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.66
Rot. Bonds4

About 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one

1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one (PubChem CID 82850961) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one
PubChem CID82850961
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one
SMILESO=c1n(CC(O)CO)ccn1C1CC1
InChIInChI=1S/C9H14N2O3/c12-6-8(13)5-10-3-4-11(9(10)14)7-1-2-7/h3-4,7-8,12-13H,1-2,5-6H2
InChIKeyRIHFPXDYASKAPV-UHFFFAOYSA-N
XLogP-0.66
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one (CID 82850961) is 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one is O=c1n(CC(O)CO)ccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one?
The InChIKey is RIHFPXDYASKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-6-8(13)5-10-3-4-11(9(10)14)7-1-2-7/h3-4,7-8,12-13H,1-2,5-6H2.
What are the key properties of 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one?
1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one has a molecular weight of 198.22 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-dihydroxypropyl)imidazol-2-one is sourced from PubChem (CID 82850961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).