4-methylcyclohexa-2,4-diene-1-carboxamide

C8H11NO — CID 19593437

IUPAC4-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CCC(C(N)=O)C=C1
InChIInChI=1S/C8H11NO/c1-6-2-4-7(5-3-6)8(9)10/h2-4,7H,5H2,1H3,(H2,9,10)
InChIKeyYLXRECRQXDQCCC-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.99
Rot. Bonds1

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

4-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 19593437) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID19593437
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CCC(C(N)=O)C=C1
InChIInChI=1S/C8H11NO/c1-6-2-4-7(5-3-6)8(9)10/h2-4,7H,5H2,1H3,(H2,9,10)
InChIKeyYLXRECRQXDQCCC-UHFFFAOYSA-N
XLogP0.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydrobenzoylamine
CID 18942709
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
1-Fluorocyclohexa-2,4-diene-1-carboxamide
CID 90030120
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217
4-Fluoro-3-methylcyclohepta-2,4,5-triene-1-carboxamide
CID 139540072
2-(5-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
CID 139765755

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-methylcyclohexa-2,4-diene-1-carboxamide (CID 19593437) is 4-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-methylcyclohexa-2,4-diene-1-carboxamide is CC1=CCC(C(N)=O)C=C1.
What is the InChIKey of 4-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YLXRECRQXDQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-2-4-7(5-3-6)8(9)10/h2-4,7H,5H2,1H3,(H2,9,10).
What are the key properties of 4-methylcyclohexa-2,4-diene-1-carboxamide?
4-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 137.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 19593437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).