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

C8H15N3O2 — CID 80581558

IUPAC1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one
SMILESCNCC(O)Cn1ccn(C)c1=O
InChIInChI=1S/C8H15N3O2/c1-9-5-7(12)6-11-4-3-10(2)8(11)13/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyQWSGHSLYHBSHOW-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.23
Rot. Bonds4

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

1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one (PubChem CID 80581558) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one
PubChem CID80581558
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one
SMILESCNCC(O)Cn1ccn(C)c1=O
InChIInChI=1S/C8H15N3O2/c1-9-5-7(12)6-11-4-3-10(2)8(11)13/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyQWSGHSLYHBSHOW-UHFFFAOYSA-N
XLogP-1.23
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one (CID 80581558) is 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one is CNCC(O)Cn1ccn(C)c1=O.
What is the InChIKey of 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one?
The InChIKey is QWSGHSLYHBSHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-9-5-7(12)6-11-4-3-10(2)8(11)13/h3-4,7,9,12H,5-6H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one?
1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one has a molecular weight of 185.23 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80581558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).