2-methyl-N-prop-2-enylhexa-2,5-dienamide

C10H15NO — CID 174329237

IUPAC2-methyl-N-prop-2-enylhexa-2,5-dienamide
SMILESC=CCC=C(C)C(=O)NCC=C
InChIInChI=1S/C10H15NO/c1-4-6-7-9(3)10(12)11-8-5-2/h4-5,7H,1-2,6,8H2,3H3,(H,11,12)
InChIKeyLKIFFTHOMMIHLG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.81
Rot. Bonds5

About 2-methyl-N-prop-2-enylhexa-2,5-dienamide

2-methyl-N-prop-2-enylhexa-2,5-dienamide (PubChem CID 174329237) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylhexa-2,5-dienamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylhexa-2,5-dienamide
PubChem CID174329237
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methyl-N-prop-2-enylhexa-2,5-dienamide
SMILESC=CCC=C(C)C(=O)NCC=C
InChIInChI=1S/C10H15NO/c1-4-6-7-9(3)10(12)11-8-5-2/h4-5,7H,1-2,6,8H2,3H3,(H,11,12)
InChIKeyLKIFFTHOMMIHLG-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-methylhexa-2,5-dienamide
CID 173014431
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
2-methylpent-2-enoyl 2-methylhexa-2,5-dienoate
CID 173326603
methyl 3-acetyloxy-4-methylocta-2,4,7-trienoate
CID 71428316
(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
CID 3033129
sulfo (2E)-2-methylhexa-2,5-dienoate
CID 87576331
2-hydroxyethyl 2-methylhexa-2,5-dienoate
CID 57086729
cyano 2-methylhexa-2,5-dienoate
CID 173149992
cyano (2E)-2-methylhexa-2,5-dienoate
CID 87743267
3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
CID 143353566
methyl (Z)-3-(prop-2-enylamino)but-2-enoate
CID 14025142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylhexa-2,5-dienamide?
The IUPAC name of 2-methyl-N-prop-2-enylhexa-2,5-dienamide (CID 174329237) is 2-methyl-N-prop-2-enylhexa-2,5-dienamide.
What is the SMILES notation for 2-methyl-N-prop-2-enylhexa-2,5-dienamide?
The canonical SMILES for 2-methyl-N-prop-2-enylhexa-2,5-dienamide is C=CCC=C(C)C(=O)NCC=C.
What is the InChIKey of 2-methyl-N-prop-2-enylhexa-2,5-dienamide?
The InChIKey is LKIFFTHOMMIHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-7-9(3)10(12)11-8-5-2/h4-5,7H,1-2,6,8H2,3H3,(H,11,12).
What are the key properties of 2-methyl-N-prop-2-enylhexa-2,5-dienamide?
2-methyl-N-prop-2-enylhexa-2,5-dienamide has a molecular weight of 165.24 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylhexa-2,5-dienamide is sourced from PubChem (CID 174329237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).