4-propylcyclohexa-2,4-diene-1-carboxamide

C10H15NO — CID 89176432

IUPAC4-propylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCC1=CCC(C(N)=O)C=C1
InChIInChI=1S/C10H15NO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-6,9H,2-3,7H2,1H3,(H2,11,12)
InChIKeyILEBWDXWUYNNQM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.77
Rot. Bonds3

About 4-propylcyclohexa-2,4-diene-1-carboxamide

4-propylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 89176432) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-propylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-propylcyclohexa-2,4-diene-1-carboxamide
PubChem CID89176432
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-propylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCC1=CCC(C(N)=O)C=C1
InChIInChI=1S/C10H15NO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-6,9H,2-3,7H2,1H3,(H2,11,12)
InChIKeyILEBWDXWUYNNQM-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18942709
Hept-5-ene-2-carboxamide
CID 21660794
2,4-Diethyltoluamide
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Diathylallylacetamid
CID 71431548
11-Tetradecatetraenamide
CID 129847889
12-Tetradecapentaenamide
CID 129847893
8-Decatrienamide
CID 129848103
2-Oxomethylenebenzamide
CID 129851024
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217

Frequently Asked Questions

What is the IUPAC name of 4-propylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-propylcyclohexa-2,4-diene-1-carboxamide (CID 89176432) is 4-propylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-propylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-propylcyclohexa-2,4-diene-1-carboxamide is CCCC1=CCC(C(N)=O)C=C1.
What is the InChIKey of 4-propylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ILEBWDXWUYNNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-6,9H,2-3,7H2,1H3,(H2,11,12).
What are the key properties of 4-propylcyclohexa-2,4-diene-1-carboxamide?
4-propylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 165.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 89176432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).