(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide

C11H15NO2 — CID 142170596

IUPAC(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C(C)=C(C)C)C(=O)NC=O
InChIInChI=1S/C11H15NO2/c1-8(2)9(3)5-6-10(4)11(14)12-7-13/h5-7H,4H2,1-3H3,(H,12,13,14)/b6-5-
InChIKeyCKLSBFGXRFKEKV-WAYWQWQTSA-N
MW193.25 g/mol
LogP1.73
Rot. Bonds4

About (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide

(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide (PubChem CID 142170596) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide
PubChem CID142170596
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C(C)=C(C)C)C(=O)NC=O
InChIInChI=1S/C11H15NO2/c1-8(2)9(3)5-6-10(4)11(14)12-7-13/h5-7H,4H2,1-3H3,(H,12,13,14)/b6-5-
InChIKeyCKLSBFGXRFKEKV-WAYWQWQTSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide?
The IUPAC name of (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide (CID 142170596) is (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide.
What is the SMILES notation for (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide?
The canonical SMILES for (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide is C=C(/C=C\C(C)=C(C)C)C(=O)NC=O.
What is the InChIKey of (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide?
The InChIKey is CKLSBFGXRFKEKV-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)9(3)5-6-10(4)11(14)12-7-13/h5-7H,4H2,1-3H3,(H,12,13,14)/b6-5-.
What are the key properties of (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide?
(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide has a molecular weight of 193.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide is sourced from PubChem (CID 142170596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).