2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide

C10H15NO2 — CID 54327859

IUPAC2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)C(C)C(=O)C(=C)C
InChIInChI=1S/C10H15NO2/c1-5-6-11-10(13)8(4)9(12)7(2)3/h5,8H,1-2,6H2,3-4H3,(H,11,13)
InChIKeySWFLMRQLESCYCP-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.07
Rot. Bonds5

About 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide

2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide (PubChem CID 54327859) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide.

Molecular Properties

Compound Name2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide
PubChem CID54327859
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)C(C)C(=O)C(=C)C
InChIInChI=1S/C10H15NO2/c1-5-6-11-10(13)8(4)9(12)7(2)3/h5,8H,1-2,6H2,3-4H3,(H,11,13)
InChIKeySWFLMRQLESCYCP-UHFFFAOYSA-N
XLogP1.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide?
The IUPAC name of 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide (CID 54327859) is 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide.
What is the SMILES notation for 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide?
The canonical SMILES for 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide is C=CCNC(=O)C(C)C(=O)C(=C)C.
What is the InChIKey of 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide?
The InChIKey is SWFLMRQLESCYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-6-11-10(13)8(4)9(12)7(2)3/h5,8H,1-2,6H2,3-4H3,(H,11,13).
What are the key properties of 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide?
2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide has a molecular weight of 181.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-oxo-N-prop-2-enylpent-4-enamide is sourced from PubChem (CID 54327859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).