cyclohepta-2,4,6-triene-1-carboxamide

C8H9NO — CID 12673770

IUPACcyclohepta-2,4,6-triene-1-carboxamide
SMILESNC(=O)C1C=CC=CC=C1
InChIInChI=1S/C8H9NO/c9-8(10)7-5-3-1-2-4-6-7/h1-7H,(H2,9,10)
InChIKeyRFWCRHDSCPXYMF-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.77
Rot. Bonds1

About cyclohepta-2,4,6-triene-1-carboxamide

cyclohepta-2,4,6-triene-1-carboxamide (PubChem CID 12673770) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is cyclohepta-2,4,6-triene-1-carboxamide.

Molecular Properties

Compound Namecyclohepta-2,4,6-triene-1-carboxamide
PubChem CID12673770
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Namecyclohepta-2,4,6-triene-1-carboxamide
SMILESNC(=O)C1C=CC=CC=C1
InChIInChI=1S/C8H9NO/c9-8(10)7-5-3-1-2-4-6-7/h1-7H,(H2,9,10)
InChIKeyRFWCRHDSCPXYMF-UHFFFAOYSA-N
XLogP0.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Cyclohexadiene-1-carboxamide
CID 24977690
4-Fluorocyclohepta-2,4,6-triene-1-carboxamide
CID 167262900
3-Fluorocyclopenta-2,4-diene-1-carboxamide
CID 170271404
Cyclopenta-2,4-diene-1-carboxamide
CID 12146770
(3E,5E)-2-methylocta-3,5,7-trienamide
CID 17917293
(3E)-hexa-3,5-dienamide
CID 22123465
1,3-Dimethylcyclohepta-2,4,6-triene-1-carboxamide
CID 45084020
2,5-Cyclohexadiene-1-carboxamide, 4-methyl-
CID 45084042
2-Cyclohepta-2,4,6-trien-1-ylacetamide
CID 55288601
2-Methylpent-3-enamide
CID 57264835
2-Methylocta-3,5,7-trienamide
CID 73413242
Hexa-3,5-dienamide
CID 73866386

Frequently Asked Questions

What is the IUPAC name of cyclohepta-2,4,6-triene-1-carboxamide?
The IUPAC name of cyclohepta-2,4,6-triene-1-carboxamide (CID 12673770) is cyclohepta-2,4,6-triene-1-carboxamide.
What is the SMILES notation for cyclohepta-2,4,6-triene-1-carboxamide?
The canonical SMILES for cyclohepta-2,4,6-triene-1-carboxamide is NC(=O)C1C=CC=CC=C1.
What is the InChIKey of cyclohepta-2,4,6-triene-1-carboxamide?
The InChIKey is RFWCRHDSCPXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-8(10)7-5-3-1-2-4-6-7/h1-7H,(H2,9,10).
What are the key properties of cyclohepta-2,4,6-triene-1-carboxamide?
cyclohepta-2,4,6-triene-1-carboxamide has a molecular weight of 135.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-2,4,6-triene-1-carboxamide is sourced from PubChem (CID 12673770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).