(2E,4Z)-2-methylhepta-2,4-dienamide

C8H13NO — CID 143129883

IUPAC(2E,4Z)-2-methylhepta-2,4-dienamide
SMILESCC/C=C\C=C(/C)C(N)=O
InChIInChI=1S/C8H13NO/c1-3-4-5-6-7(2)8(9)10/h4-6H,3H2,1-2H3,(H2,9,10)/b5-4-,7-6+
InChIKeyGJOKVXGJXOOPCN-SCFJQAPRSA-N
MW139.20 g/mol
LogP1.38
Rot. Bonds3

About (2E,4Z)-2-methylhepta-2,4-dienamide

(2E,4Z)-2-methylhepta-2,4-dienamide (PubChem CID 143129883) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E,4Z)-2-methylhepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2-methylhepta-2,4-dienamide
PubChem CID143129883
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E,4Z)-2-methylhepta-2,4-dienamide
SMILESCC/C=C\C=C(/C)C(N)=O
InChIInChI=1S/C8H13NO/c1-3-4-5-6-7(2)8(9)10/h4-6H,3H2,1-2H3,(H2,9,10)/b5-4-,7-6+
InChIKeyGJOKVXGJXOOPCN-SCFJQAPRSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.38
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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Related Compounds

(2E,4E)-2-methylpentadeca-2,4-dienamide
CID 169003282
(2E,4E)-2-methylheptacosa-2,4-dienamide
CID 169003266
2-methyldodeca-2,4-dienamide
CID 168877598
2-methylpentadeca-2,4-dienamide
CID 168877600
2-methyltrideca-2,4-dienamide
CID 154353968
2-methylpent-2-enamide
CID 66895957
(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
CID 169003273
(2Z,4E)-2,6-dimethylhepta-2,4-dienamide
CID 129311525
(3E,5E)-octa-3,5-dienamide
CID 55289592
acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
CID 143358490
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methylhepta-2,4-dienamide?
The IUPAC name of (2E,4Z)-2-methylhepta-2,4-dienamide (CID 143129883) is (2E,4Z)-2-methylhepta-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2-methylhepta-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2-methylhepta-2,4-dienamide is CC/C=C\C=C(/C)C(N)=O.
What is the InChIKey of (2E,4Z)-2-methylhepta-2,4-dienamide?
The InChIKey is GJOKVXGJXOOPCN-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-6-7(2)8(9)10/h4-6H,3H2,1-2H3,(H2,9,10)/b5-4-,7-6+.
What are the key properties of (2E,4Z)-2-methylhepta-2,4-dienamide?
(2E,4Z)-2-methylhepta-2,4-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methylhepta-2,4-dienamide is sourced from PubChem (CID 143129883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).