(Z)-N-butyl-4-oxopent-2-enamide

C9H15NO2 — CID 59172335

IUPAC(Z)-N-butyl-4-oxopent-2-enamide
SMILESCCCCNC(=O)/C=C\C(C)=O
InChIInChI=1S/C9H15NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h5-6H,3-4,7H2,1-2H3,(H,10,12)/b6-5-
InChIKeyGAOKFARSUYTZLF-WAYWQWQTSA-N
MW169.22 g/mol
LogP1.05
Rot. Bonds5

About (Z)-N-butyl-4-oxopent-2-enamide

(Z)-N-butyl-4-oxopent-2-enamide (PubChem CID 59172335) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (Z)-N-butyl-4-oxopent-2-enamide.

Molecular Properties

Compound Name(Z)-N-butyl-4-oxopent-2-enamide
PubChem CID59172335
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(Z)-N-butyl-4-oxopent-2-enamide
SMILESCCCCNC(=O)/C=C\C(C)=O
InChIInChI=1S/C9H15NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h5-6H,3-4,7H2,1-2H3,(H,10,12)/b6-5-
InChIKeyGAOKFARSUYTZLF-WAYWQWQTSA-N
XLogP1.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Ethylnona-2,6-dienamide
CID 57351458
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884
2,5,6,7-tetrahydro-1H-azepin-2-one
CID 557502
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 74405774
(E)-N-(2-methylpropyl)pent-2-enamide
CID 21718815
Pyridine-2,5(1h)-dione
CID 67868747
Homoallyl crotonamide
CID 89383626
N'-butylbut-2-enediamide
CID 54509665
(2E)-N-ethylnona-2,6-dienamide
CID 87600798
(E)-N-butylpent-2-enamide
CID 6381876
N-[(3-methylidene-6-oxocyclohexa-1,4-dien-1-yl)methyl]acetamide
CID 134962013

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-4-oxopent-2-enamide?
The IUPAC name of (Z)-N-butyl-4-oxopent-2-enamide (CID 59172335) is (Z)-N-butyl-4-oxopent-2-enamide.
What is the SMILES notation for (Z)-N-butyl-4-oxopent-2-enamide?
The canonical SMILES for (Z)-N-butyl-4-oxopent-2-enamide is CCCCNC(=O)/C=C\C(C)=O.
What is the InChIKey of (Z)-N-butyl-4-oxopent-2-enamide?
The InChIKey is GAOKFARSUYTZLF-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h5-6H,3-4,7H2,1-2H3,(H,10,12)/b6-5-.
What are the key properties of (Z)-N-butyl-4-oxopent-2-enamide?
(Z)-N-butyl-4-oxopent-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-4-oxopent-2-enamide is sourced from PubChem (CID 59172335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).