N-(3-oxobutyl)acetamide

C6H11NO2 — CID 21426084

IUPACN-(3-oxobutyl)acetamide
SMILESCC(=O)CCNC(C)=O
InChIInChI=1S/C6H11NO2/c1-5(8)3-4-7-6(2)9/h3-4H2,1-2H3,(H,7,9)
InChIKeyQIUCDNWPFXCGGJ-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.10
Rot. Bonds3

About N-(3-oxobutyl)acetamide

N-(3-oxobutyl)acetamide (PubChem CID 21426084) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(3-oxobutyl)acetamide.

Molecular Properties

Compound NameN-(3-oxobutyl)acetamide
PubChem CID21426084
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(3-oxobutyl)acetamide
SMILESCC(=O)CCNC(C)=O
InChIInChI=1S/C6H11NO2/c1-5(8)3-4-7-6(2)9/h3-4H2,1-2H3,(H,7,9)
InChIKeyQIUCDNWPFXCGGJ-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutyl)acetamide?
The IUPAC name of N-(3-oxobutyl)acetamide (CID 21426084) is N-(3-oxobutyl)acetamide.
What is the SMILES notation for N-(3-oxobutyl)acetamide?
The canonical SMILES for N-(3-oxobutyl)acetamide is CC(=O)CCNC(C)=O.
What is the InChIKey of N-(3-oxobutyl)acetamide?
The InChIKey is QIUCDNWPFXCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)3-4-7-6(2)9/h3-4H2,1-2H3,(H,7,9).
What are the key properties of N-(3-oxobutyl)acetamide?
N-(3-oxobutyl)acetamide has a molecular weight of 129.16 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutyl)acetamide is sourced from PubChem (CID 21426084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).