2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide

C10H17NO2 — CID 135080526

IUPAC2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide
SMILESCC(=O)/C=C/CNC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-8(12)6-5-7-11-9(13)10(2,3)4/h5-6H,7H2,1-4H3,(H,11,13)/b6-5+
InChIKeyMYAJFJUQUYYCCJ-AATRIKPKSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds3

About 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide

2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide (PubChem CID 135080526) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide
PubChem CID135080526
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide
SMILESCC(=O)/C=C/CNC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-8(12)6-5-7-11-9(13)10(2,3)4/h5-6H,7H2,1-4H3,(H,11,13)/b6-5+
InChIKeyMYAJFJUQUYYCCJ-AATRIKPKSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
Lanyuamide Ii
CID 5318940
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
N-Acetyldopamine quinone
CID 128278
N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 74405774
N-isobutyl-2,6-decadienamide
CID 129834243
(2e,7z)-N-isobutyl-2,7-decadienamide
CID 129848087
N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide
CID 78385194
(2E)-N-ethylnona-2,6-dienamide
CID 87600798
(E)-N-butylpent-2-enamide
CID 6381876
(E)-N-(2-methylpropyl)pent-2-enamide
CID 21718815

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide (CID 135080526) is 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide is CC(=O)/C=C/CNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide?
The InChIKey is MYAJFJUQUYYCCJ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)6-5-7-11-9(13)10(2,3)4/h5-6H,7H2,1-4H3,(H,11,13)/b6-5+.
What are the key properties of 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide?
2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide has a molecular weight of 183.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide is sourced from PubChem (CID 135080526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).