1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one

C10H19N3O2 — CID 80581585

IUPAC1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one
SMILESCCCNCC(O)Cn1ccn(C)c1=O
InChIInChI=1S/C10H19N3O2/c1-3-4-11-7-9(14)8-13-6-5-12(2)10(13)15/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyVOJDTQMIWGXPOK-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.45
Rot. Bonds6

About 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one

1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one (PubChem CID 80581585) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one
PubChem CID80581585
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one
SMILESCCCNCC(O)Cn1ccn(C)c1=O
InChIInChI=1S/C10H19N3O2/c1-3-4-11-7-9(14)8-13-6-5-12(2)10(13)15/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyVOJDTQMIWGXPOK-UHFFFAOYSA-N
XLogP-0.45
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one (CID 80581585) is 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one is CCCNCC(O)Cn1ccn(C)c1=O.
What is the InChIKey of 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one?
The InChIKey is VOJDTQMIWGXPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-4-11-7-9(14)8-13-6-5-12(2)10(13)15/h5-6,9,11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one?
1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one has a molecular weight of 213.28 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80581585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).