3-ethyl-N-hydroxyoxolane-3-carboxamide

C7H13NO3 — CID 18723148

IUPAC3-ethyl-N-hydroxyoxolane-3-carboxamide
SMILESCCC1(C(=O)NO)CCOC1
InChIInChI=1S/C7H13NO3/c1-2-7(6(9)8-10)3-4-11-5-7/h10H,2-5H2,1H3,(H,8,9)
InChIKeyAUJVKEIDTGHBGS-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.31
Rot. Bonds2

About 3-ethyl-N-hydroxyoxolane-3-carboxamide

3-ethyl-N-hydroxyoxolane-3-carboxamide (PubChem CID 18723148) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-ethyl-N-hydroxyoxolane-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-hydroxyoxolane-3-carboxamide
PubChem CID18723148
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-ethyl-N-hydroxyoxolane-3-carboxamide
SMILESCCC1(C(=O)NO)CCOC1
InChIInChI=1S/C7H13NO3/c1-2-7(6(9)8-10)3-4-11-5-7/h10H,2-5H2,1H3,(H,8,9)
InChIKeyAUJVKEIDTGHBGS-UHFFFAOYSA-N
XLogP0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethyl-N-hydroxyoxolane-3-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 3-ethyl-N-hydroxyoxolane-3-carboxamide?
The IUPAC name of 3-ethyl-N-hydroxyoxolane-3-carboxamide (CID 18723148) is 3-ethyl-N-hydroxyoxolane-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-hydroxyoxolane-3-carboxamide?
The canonical SMILES for 3-ethyl-N-hydroxyoxolane-3-carboxamide is CCC1(C(=O)NO)CCOC1.
What is the InChIKey of 3-ethyl-N-hydroxyoxolane-3-carboxamide?
The InChIKey is AUJVKEIDTGHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-7(6(9)8-10)3-4-11-5-7/h10H,2-5H2,1H3,(H,8,9).
What are the key properties of 3-ethyl-N-hydroxyoxolane-3-carboxamide?
3-ethyl-N-hydroxyoxolane-3-carboxamide has a molecular weight of 159.18 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-hydroxyoxolane-3-carboxamide is sourced from PubChem (CID 18723148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).