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

C8H17N3O2 — CID 62492375

IUPAC1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one
SMILESCNCC(O)CN1CCN(C)C1=O
InChIInChI=1S/C8H17N3O2/c1-9-5-7(12)6-11-4-3-10(2)8(11)13/h7,9,12H,3-6H2,1-2H3
InChIKeyCHFDDYNARQWUHE-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.07
Rot. Bonds4

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

1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one (PubChem CID 62492375) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one
PubChem CID62492375
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one
SMILESCNCC(O)CN1CCN(C)C1=O
InChIInChI=1S/C8H17N3O2/c1-9-5-7(12)6-11-4-3-10(2)8(11)13/h7,9,12H,3-6H2,1-2H3
InChIKeyCHFDDYNARQWUHE-UHFFFAOYSA-N
XLogP-1.07
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one (CID 62492375) is 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one is CNCC(O)CN1CCN(C)C1=O.
What is the InChIKey of 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one?
The InChIKey is CHFDDYNARQWUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-9-5-7(12)6-11-4-3-10(2)8(11)13/h7,9,12H,3-6H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one?
1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62492375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).