(4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide

C13H18N2O2 — CID 169248895

IUPAC(4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide
SMILESC=C/C=C(\C=C/C)C/C(=N/C(=O)CC)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-4-7-10(8-5-2)9-11(13(14)17)15-12(16)6-3/h4-5,7-8H,1,6,9H2,2-3H3,(H2,14,17)/b8-5-,10-7+,15-11-
InChIKeyXUDQWMCLTYXSCT-MYGKCSRISA-N
MW234.30 g/mol
LogP1.93
Rot. Bonds6

About (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide

(4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide (PubChem CID 169248895) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide
PubChem CID169248895
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide
SMILESC=C/C=C(\C=C/C)C/C(=N/C(=O)CC)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-4-7-10(8-5-2)9-11(13(14)17)15-12(16)6-3/h4-5,7-8H,1,6,9H2,2-3H3,(H2,14,17)/b8-5-,10-7+,15-11-
InChIKeyXUDQWMCLTYXSCT-MYGKCSRISA-N
XLogP1.93
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Cyclohexa-1,5-dien-1-yl-3-iminopropanamide
CID 123319684
(2E)-2-propanimidoylhepta-2,4-dienamide
CID 123809337
5-Prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one
CID 172857617
6-Carbamoyliminocyclohexa-1,3-diene-1-carboxamide
CID 173368238
(4E)-4-ethenyl-2,3-diiminohepta-4,6-dienamide
CID 143438356

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide?
The IUPAC name of (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide (CID 169248895) is (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide.
What is the SMILES notation for (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide?
The canonical SMILES for (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide is C=C/C=C(\C=C/C)C/C(=N/C(=O)CC)C(N)=O.
What is the InChIKey of (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide?
The InChIKey is XUDQWMCLTYXSCT-MYGKCSRISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-7-10(8-5-2)9-11(13(14)17)15-12(16)6-3/h4-5,7-8H,1,6,9H2,2-3H3,(H2,14,17)/b8-5-,10-7+,15-11-.
What are the key properties of (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide?
(4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide has a molecular weight of 234.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide is sourced from PubChem (CID 169248895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).