(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide

C10H13NO — CID 130205003

IUPAC(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
SMILESC=C/C=C\C(=C/C=C)C(=O)NC
InChIInChI=1S/C10H13NO/c1-4-6-8-9(7-5-2)10(12)11-3/h4-8H,1-2H2,3H3,(H,11,12)/b8-6-,9-7+
InChIKeyVCVIAYLYRXELKT-MKKAVFGOSA-N
MW163.22 g/mol
LogP1.59
Rot. Bonds4

About (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide

(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide (PubChem CID 130205003) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
PubChem CID130205003
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
SMILESC=C/C=C\C(=C/C=C)C(=O)NC
InChIInChI=1S/C10H13NO/c1-4-6-8-9(7-5-2)10(12)11-3/h4-8H,1-2H2,3H3,(H,11,12)/b8-6-,9-7+
InChIKeyVCVIAYLYRXELKT-MKKAVFGOSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide?
The IUPAC name of (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide (CID 130205003) is (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide.
What is the SMILES notation for (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide?
The canonical SMILES for (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide is C=C/C=C\C(=C/C=C)C(=O)NC.
What is the InChIKey of (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide?
The InChIKey is VCVIAYLYRXELKT-MKKAVFGOSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-6-8-9(7-5-2)10(12)11-3/h4-8H,1-2H2,3H3,(H,11,12)/b8-6-,9-7+.
What are the key properties of (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide?
(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide has a molecular weight of 163.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide is sourced from PubChem (CID 130205003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).