1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one

C7H13N3O2 — CID 80581559

IUPAC1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one
SMILESCn1ccn(CC(O)CN)c1=O
InChIInChI=1S/C7H13N3O2/c1-9-2-3-10(7(9)12)5-6(11)4-8/h2-3,6,11H,4-5,8H2,1H3
InChIKeyDCAXYUMFHLYPMQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.49
Rot. Bonds3

About 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one

1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one (PubChem CID 80581559) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one
PubChem CID80581559
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one
SMILESCn1ccn(CC(O)CN)c1=O
InChIInChI=1S/C7H13N3O2/c1-9-2-3-10(7(9)12)5-6(11)4-8/h2-3,6,11H,4-5,8H2,1H3
InChIKeyDCAXYUMFHLYPMQ-UHFFFAOYSA-N
XLogP-1.49
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one (CID 80581559) is 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one is Cn1ccn(CC(O)CN)c1=O.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one?
The InChIKey is DCAXYUMFHLYPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-9-2-3-10(7(9)12)5-6(11)4-8/h2-3,6,11H,4-5,8H2,1H3.
What are the key properties of 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one?
1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one has a molecular weight of 171.20 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)-3-methylimidazol-2-one is sourced from PubChem (CID 80581559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).