N-(2-oxobutyl)-1,3-dioxole-4-carboxamide

C8H11NO4 — CID 56608747

IUPACN-(2-oxobutyl)-1,3-dioxole-4-carboxamide
SMILESCCC(=O)CNC(=O)C1=COCO1
InChIInChI=1S/C8H11NO4/c1-2-6(10)3-9-8(11)7-4-12-5-13-7/h4H,2-3,5H2,1H3,(H,9,11)
InChIKeyIYABJICYDPJIDA-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.07
Rot. Bonds4

About N-(2-oxobutyl)-1,3-dioxole-4-carboxamide

N-(2-oxobutyl)-1,3-dioxole-4-carboxamide (PubChem CID 56608747) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-(2-oxobutyl)-1,3-dioxole-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxobutyl)-1,3-dioxole-4-carboxamide
PubChem CID56608747
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC NameN-(2-oxobutyl)-1,3-dioxole-4-carboxamide
SMILESCCC(=O)CNC(=O)C1=COCO1
InChIInChI=1S/C8H11NO4/c1-2-6(10)3-9-8(11)7-4-12-5-13-7/h4H,2-3,5H2,1H3,(H,9,11)
InChIKeyIYABJICYDPJIDA-UHFFFAOYSA-N
XLogP-0.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,3-dioxole-4-carboxamide
CID 54280660
N-propyl-1,3-dioxole-4-carboxamide
CID 69149677
N-butyl-2-oxo-1,3-dioxole-4-carboxamide
CID 141421527

Frequently Asked Questions

What is the IUPAC name of N-(2-oxobutyl)-1,3-dioxole-4-carboxamide?
The IUPAC name of N-(2-oxobutyl)-1,3-dioxole-4-carboxamide (CID 56608747) is N-(2-oxobutyl)-1,3-dioxole-4-carboxamide.
What is the SMILES notation for N-(2-oxobutyl)-1,3-dioxole-4-carboxamide?
The canonical SMILES for N-(2-oxobutyl)-1,3-dioxole-4-carboxamide is CCC(=O)CNC(=O)C1=COCO1.
What is the InChIKey of N-(2-oxobutyl)-1,3-dioxole-4-carboxamide?
The InChIKey is IYABJICYDPJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-6(10)3-9-8(11)7-4-12-5-13-7/h4H,2-3,5H2,1H3,(H,9,11).
What are the key properties of N-(2-oxobutyl)-1,3-dioxole-4-carboxamide?
N-(2-oxobutyl)-1,3-dioxole-4-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobutyl)-1,3-dioxole-4-carboxamide is sourced from PubChem (CID 56608747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).