2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide

C14H23NO5 — CID 157398181

IUPAC2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide
SMILESCC(C)C(=O)C1CO1.CC(C)NC(=O)C1CCC(=O)O1
InChIInChI=1S/C8H13NO3.C6H10O2/c1-5(2)9-8(11)6-3-4-7(10)12-6;1-4(2)6(7)5-3-8-5/h5-6H,3-4H2,1-2H3,(H,9,11);4-5H,3H2,1-2H3
InChIKeyBMVCWZXAWBTYLC-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.83
Rot. Bonds4

About 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide

2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide (PubChem CID 157398181) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide
PubChem CID157398181
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide
SMILESCC(C)C(=O)C1CO1.CC(C)NC(=O)C1CCC(=O)O1
InChIInChI=1S/C8H13NO3.C6H10O2/c1-5(2)9-8(11)6-3-4-7(10)12-6;1-4(2)6(7)5-3-8-5/h5-6H,3-4H2,1-2H3,(H,9,11);4-5H,3H2,1-2H3
InChIKeyBMVCWZXAWBTYLC-UHFFFAOYSA-N
XLogP0.83
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide 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 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide?
The IUPAC name of 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide (CID 157398181) is 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide is CC(C)C(=O)C1CO1.CC(C)NC(=O)C1CCC(=O)O1.
What is the InChIKey of 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide?
The InChIKey is BMVCWZXAWBTYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C6H10O2/c1-5(2)9-8(11)6-3-4-7(10)12-6;1-4(2)6(7)5-3-8-5/h5-6H,3-4H2,1-2H3,(H,9,11);4-5H,3H2,1-2H3.
What are the key properties of 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide?
2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxiran-2-yl)propan-1-one;5-oxo-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 157398181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).