N-but-3-en-2-yl-2-oxobutanamide

C8H13NO2 — CID 89048137

IUPACN-but-3-en-2-yl-2-oxobutanamide
SMILESC=CC(C)NC(=O)C(=O)CC
InChIInChI=1S/C8H13NO2/c1-4-6(3)9-8(11)7(10)5-2/h4,6H,1,5H2,2-3H3,(H,9,11)
InChIKeyCSAUCMYRCTXXPJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds4

About N-but-3-en-2-yl-2-oxobutanamide

N-but-3-en-2-yl-2-oxobutanamide (PubChem CID 89048137) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-oxobutanamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-oxobutanamide
PubChem CID89048137
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-but-3-en-2-yl-2-oxobutanamide
SMILESC=CC(C)NC(=O)C(=O)CC
InChIInChI=1S/C8H13NO2/c1-4-6(3)9-8(11)7(10)5-2/h4,6H,1,5H2,2-3H3,(H,9,11)
InChIKeyCSAUCMYRCTXXPJ-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 23273486
CID 23273486
CID 533893
CID 533893
CID 53840513
CID 53840513
CID 163668073
CID 163668073
CID 88342325
CID 88342325
CID 138967080
CID 138967080
CID 10866344
CID 10866344
CID 19357508
CID 19357508
CID 20612546
CID 20612546
CID 21949598
CID 21949598
CID 21949646
CID 21949646
CID 22926605
CID 22926605

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-oxobutanamide?
The IUPAC name of N-but-3-en-2-yl-2-oxobutanamide (CID 89048137) is N-but-3-en-2-yl-2-oxobutanamide.
What is the SMILES notation for N-but-3-en-2-yl-2-oxobutanamide?
The canonical SMILES for N-but-3-en-2-yl-2-oxobutanamide is C=CC(C)NC(=O)C(=O)CC.
What is the InChIKey of N-but-3-en-2-yl-2-oxobutanamide?
The InChIKey is CSAUCMYRCTXXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-6(3)9-8(11)7(10)5-2/h4,6H,1,5H2,2-3H3,(H,9,11).
What are the key properties of N-but-3-en-2-yl-2-oxobutanamide?
N-but-3-en-2-yl-2-oxobutanamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-oxobutanamide is sourced from PubChem (CID 89048137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).