(4S)-4-(hydroxymethyl)imidazolidin-2-one

C4H8N2O2 — CID 118414112

IUPAC(4S)-4-(hydroxymethyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](CO)N1
InChIInChI=1S/C4H8N2O2/c7-2-3-1-5-4(8)6-3/h3,7H,1-2H2,(H2,5,6,8)/t3-/m0/s1
InChIKeyJDXWVZWFFCLGPU-VKHMYHEASA-N
MW116.12 g/mol
LogP-1.34
Rot. Bonds1

About (4S)-4-(hydroxymethyl)imidazolidin-2-one

(4S)-4-(hydroxymethyl)imidazolidin-2-one (PubChem CID 118414112) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)imidazolidin-2-one
PubChem CID118414112
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(4S)-4-(hydroxymethyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](CO)N1
InChIInChI=1S/C4H8N2O2/c7-2-3-1-5-4(8)6-3/h3,7H,1-2H2,(H2,5,6,8)/t3-/m0/s1
InChIKeyJDXWVZWFFCLGPU-VKHMYHEASA-N
XLogP-1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(hydroxymethyl)imidazolidin-2-one (CID 118414112) is (4S)-4-(hydroxymethyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(hydroxymethyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(hydroxymethyl)imidazolidin-2-one is O=C1NC[C@@H](CO)N1.
What is the InChIKey of (4S)-4-(hydroxymethyl)imidazolidin-2-one?
The InChIKey is JDXWVZWFFCLGPU-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O2/c7-2-3-1-5-4(8)6-3/h3,7H,1-2H2,(H2,5,6,8)/t3-/m0/s1.
What are the key properties of (4S)-4-(hydroxymethyl)imidazolidin-2-one?
(4S)-4-(hydroxymethyl)imidazolidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)imidazolidin-2-one is sourced from PubChem (CID 118414112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).