(4S)-4-methylimidazolidin-2-one

C4H8N2O — CID 57202305

IUPAC(4S)-4-methylimidazolidin-2-one
SMILESC[C@H]1CNC(=O)N1
InChIInChI=1S/C4H8N2O/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyDWEQVNFWAKJCEY-VKHMYHEASA-N
MW100.12 g/mol
LogP-0.31
Rot. Bonds

About (4S)-4-methylimidazolidin-2-one

(4S)-4-methylimidazolidin-2-one (PubChem CID 57202305) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (4S)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methylimidazolidin-2-one
PubChem CID57202305
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(4S)-4-methylimidazolidin-2-one
SMILESC[C@H]1CNC(=O)N1
InChIInChI=1S/C4H8N2O/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyDWEQVNFWAKJCEY-VKHMYHEASA-N
XLogP-0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylimidazolidin-2-one?
The IUPAC name of (4S)-4-methylimidazolidin-2-one (CID 57202305) is (4S)-4-methylimidazolidin-2-one.
What is the SMILES notation for (4S)-4-methylimidazolidin-2-one?
The canonical SMILES for (4S)-4-methylimidazolidin-2-one is C[C@H]1CNC(=O)N1.
What is the InChIKey of (4S)-4-methylimidazolidin-2-one?
The InChIKey is DWEQVNFWAKJCEY-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1.
What are the key properties of (4S)-4-methylimidazolidin-2-one?
(4S)-4-methylimidazolidin-2-one has a molecular weight of 100.12 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylimidazolidin-2-one is sourced from PubChem (CID 57202305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).