4-(3-oxobutyl)oxane-4-carboxamide

C10H17NO3 — CID 143045397

IUPAC4-(3-oxobutyl)oxane-4-carboxamide
SMILESCC(=O)CCC1(C(N)=O)CCOCC1
InChIInChI=1S/C10H17NO3/c1-8(12)2-3-10(9(11)13)4-6-14-7-5-10/h2-7H2,1H3,(H2,11,13)
InChIKeyJZPAWGHIQMHMNE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.64
Rot. Bonds4

About 4-(3-oxobutyl)oxane-4-carboxamide

4-(3-oxobutyl)oxane-4-carboxamide (PubChem CID 143045397) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(3-oxobutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-oxobutyl)oxane-4-carboxamide
PubChem CID143045397
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-(3-oxobutyl)oxane-4-carboxamide
SMILESCC(=O)CCC1(C(N)=O)CCOCC1
InChIInChI=1S/C10H17NO3/c1-8(12)2-3-10(9(11)13)4-6-14-7-5-10/h2-7H2,1H3,(H2,11,13)
InChIKeyJZPAWGHIQMHMNE-UHFFFAOYSA-N
XLogP0.64
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-oxobutyl)oxane-4-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 4-(3-oxobutyl)oxane-4-carboxamide?
The IUPAC name of 4-(3-oxobutyl)oxane-4-carboxamide (CID 143045397) is 4-(3-oxobutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-oxobutyl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-oxobutyl)oxane-4-carboxamide is CC(=O)CCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-(3-oxobutyl)oxane-4-carboxamide?
The InChIKey is JZPAWGHIQMHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(12)2-3-10(9(11)13)4-6-14-7-5-10/h2-7H2,1H3,(H2,11,13).
What are the key properties of 4-(3-oxobutyl)oxane-4-carboxamide?
4-(3-oxobutyl)oxane-4-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxobutyl)oxane-4-carboxamide is sourced from PubChem (CID 143045397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).