(3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione

C10H13NO3 — CID 7271889

IUPAC(3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione
SMILESC=CC/N=C(\C)[C@@H]1C(=O)O[C@H](C)C1=O
InChIInChI=1S/C10H13NO3/c1-4-5-11-6(2)8-9(12)7(3)14-10(8)13/h4,7-8H,1,5H2,2-3H3/b11-6+/t7-,8+/m1/s1
InChIKeyIASADZXGUYPEBJ-GKTFBYNNSA-N
MW195.22 g/mol
LogP0.76
Rot. Bonds3

About (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione

(3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione (PubChem CID 7271889) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione.

Molecular Properties

Compound Name(3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione
PubChem CID7271889
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione
SMILESC=CC/N=C(\C)[C@@H]1C(=O)O[C@H](C)C1=O
InChIInChI=1S/C10H13NO3/c1-4-5-11-6(2)8-9(12)7(3)14-10(8)13/h4,7-8H,1,5H2,2-3H3/b11-6+/t7-,8+/m1/s1
InChIKeyIASADZXGUYPEBJ-GKTFBYNNSA-N
XLogP0.76
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione?
The IUPAC name of (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione (CID 7271889) is (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione.
What is the SMILES notation for (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione?
The canonical SMILES for (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione is C=CC/N=C(\C)[C@@H]1C(=O)O[C@H](C)C1=O.
What is the InChIKey of (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione?
The InChIKey is IASADZXGUYPEBJ-GKTFBYNNSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-5-11-6(2)8-9(12)7(3)14-10(8)13/h4,7-8H,1,5H2,2-3H3/b11-6+/t7-,8+/m1/s1.
What are the key properties of (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione?
(3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-3-(C-methyl-N-prop-2-enylcarbonimidoyl)oxolane-2,4-dione is sourced from PubChem (CID 7271889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).