N-methyl-N-prop-2-enylhexa-3,5-dienamide

C10H15NO — CID 71412783

IUPACN-methyl-N-prop-2-enylhexa-3,5-dienamide
SMILESC=CC=CCC(=O)N(C)CC=C
InChIInChI=1S/C10H15NO/c1-4-6-7-8-10(12)11(3)9-5-2/h4-7H,1-2,8-9H2,3H3
InChIKeyJDTVSXRLAPNYKG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.76
Rot. Bonds5

About N-methyl-N-prop-2-enylhexa-3,5-dienamide

N-methyl-N-prop-2-enylhexa-3,5-dienamide (PubChem CID 71412783) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylhexa-3,5-dienamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylhexa-3,5-dienamide
PubChem CID71412783
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-N-prop-2-enylhexa-3,5-dienamide
SMILESC=CC=CCC(=O)N(C)CC=C
InChIInChI=1S/C10H15NO/c1-4-6-7-8-10(12)11(3)9-5-2/h4-7H,1-2,8-9H2,3H3
InChIKeyJDTVSXRLAPNYKG-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylhexa-3,5-dienamide?
The IUPAC name of N-methyl-N-prop-2-enylhexa-3,5-dienamide (CID 71412783) is N-methyl-N-prop-2-enylhexa-3,5-dienamide.
What is the SMILES notation for N-methyl-N-prop-2-enylhexa-3,5-dienamide?
The canonical SMILES for N-methyl-N-prop-2-enylhexa-3,5-dienamide is C=CC=CCC(=O)N(C)CC=C.
What is the InChIKey of N-methyl-N-prop-2-enylhexa-3,5-dienamide?
The InChIKey is JDTVSXRLAPNYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-7-8-10(12)11(3)9-5-2/h4-7H,1-2,8-9H2,3H3.
What are the key properties of N-methyl-N-prop-2-enylhexa-3,5-dienamide?
N-methyl-N-prop-2-enylhexa-3,5-dienamide has a molecular weight of 165.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylhexa-3,5-dienamide is sourced from PubChem (CID 71412783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).