(4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one

C7H12N2O — CID 55298822

IUPAC(4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one
SMILESC/C=C/[C@@H]1NC(=O)N[C@@H]1C
InChIInChI=1S/C7H12N2O/c1-3-4-6-5(2)8-7(10)9-6/h3-6H,1-2H3,(H2,8,9,10)/b4-3+/t5-,6+/m1/s1
InChIKeyJQCLAKNPXNHMSM-ZRKSVAJOSA-N
MW140.19 g/mol
LogP0.63
Rot. Bonds1

About (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one

(4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one (PubChem CID 55298822) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one
PubChem CID55298822
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one
SMILESC/C=C/[C@@H]1NC(=O)N[C@@H]1C
InChIInChI=1S/C7H12N2O/c1-3-4-6-5(2)8-7(10)9-6/h3-6H,1-2H3,(H2,8,9,10)/b4-3+/t5-,6+/m1/s1
InChIKeyJQCLAKNPXNHMSM-ZRKSVAJOSA-N
XLogP0.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one (CID 55298822) is (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one is C/C=C/[C@@H]1NC(=O)N[C@@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one?
The InChIKey is JQCLAKNPXNHMSM-ZRKSVAJOSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-6-5(2)8-7(10)9-6/h3-6H,1-2H3,(H2,8,9,10)/b4-3+/t5-,6+/m1/s1.
What are the key properties of (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one?
(4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-5-[(E)-prop-1-enyl]imidazolidin-2-one is sourced from PubChem (CID 55298822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).