2-methyl-3-oxo-N-prop-2-enylpent-4-enamide

C9H13NO2 — CID 54061020

IUPAC2-methyl-3-oxo-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)C(C)C(=O)C=C
InChIInChI=1S/C9H13NO2/c1-4-6-10-9(12)7(3)8(11)5-2/h4-5,7H,1-2,6H2,3H3,(H,10,12)
InChIKeyLZSDQZPAFNXXMQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.68
Rot. Bonds5

About 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide

2-methyl-3-oxo-N-prop-2-enylpent-4-enamide (PubChem CID 54061020) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-prop-2-enylpent-4-enamide
PubChem CID54061020
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-methyl-3-oxo-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)C(C)C(=O)C=C
InChIInChI=1S/C9H13NO2/c1-4-6-10-9(12)7(3)8(11)5-2/h4-5,7H,1-2,6H2,3H3,(H,10,12)
InChIKeyLZSDQZPAFNXXMQ-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-prop-2-enylpent-4-enamide
CID 134872335
N-(2-acetyl-3-oxobutyl)prop-2-enamide
CID 14573623
N,2-diethylbut-3-enamide
CID 20380638
2-methyl-N-prop-2-enylpent-4-enamide
CID 22036669
2-methyl-N-(3-oxopent-4-enyl)prop-2-enamide
CID 22641181
N-(4-methyl-3-oxopent-4-enyl)prop-2-enamide
CID 53656436
2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide
CID 54327859
N-[(3S)-3-acetylhex-5-en-2-yl]acetamide
CID 54563011
N-(3-oxopent-4-enyl)prop-2-enamide
CID 57289263
N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide
CID 58231894
2-methyl-N-(4-oxohex-5-enyl)propanamide
CID 58298981
3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide
CID 58330227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide?
The IUPAC name of 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide (CID 54061020) is 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide.
What is the SMILES notation for 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide?
The canonical SMILES for 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide is C=CCNC(=O)C(C)C(=O)C=C.
What is the InChIKey of 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide?
The InChIKey is LZSDQZPAFNXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-6-10-9(12)7(3)8(11)5-2/h4-5,7H,1-2,6H2,3H3,(H,10,12).
What are the key properties of 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide?
2-methyl-3-oxo-N-prop-2-enylpent-4-enamide has a molecular weight of 167.21 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-prop-2-enylpent-4-enamide is sourced from PubChem (CID 54061020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).