(5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide

C17H25NO — CID 167048360

IUPAC(5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide
SMILESCCCC/C=c1/cccc(C(N)=O)/c1=C\CC(C)C
InChIInChI=1S/C17H25NO/c1-4-5-6-8-14-9-7-10-16(17(18)19)15(14)12-11-13(2)3/h7-10,12-13H,4-6,11H2,1-3H3,(H2,18,19)/b14-8-,15-12-
InChIKeyVBHHRYMOSDCNPW-IMWULXOASA-N
MW259.39 g/mol
LogP2.58
Rot. Bonds6

About (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide

(5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide (PubChem CID 167048360) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name(5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide
PubChem CID167048360
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide
SMILESCCCC/C=c1/cccc(C(N)=O)/c1=C\CC(C)C
InChIInChI=1S/C17H25NO/c1-4-5-6-8-14-9-7-10-16(17(18)19)15(14)12-11-13(2)3/h7-10,12-13H,4-6,11H2,1-3H3,(H2,18,19)/b14-8-,15-12-
InChIKeyVBHHRYMOSDCNPW-IMWULXOASA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide (CID 167048360) is (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide is CCCC/C=c1/cccc(C(N)=O)/c1=C\CC(C)C.
What is the InChIKey of (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide?
The InChIKey is VBHHRYMOSDCNPW-IMWULXOASA-N. The full InChI is InChI=1S/C17H25NO/c1-4-5-6-8-14-9-7-10-16(17(18)19)15(14)12-11-13(2)3/h7-10,12-13H,4-6,11H2,1-3H3,(H2,18,19)/b14-8-,15-12-.
What are the key properties of (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide?
(5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide has a molecular weight of 259.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-6-(3-methylbutylidene)-5-pentylidenecyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 167048360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).