cyclohepta-1,3,6-triene-1-carboxamide;ethane

C10H15NO — CID 143923802

IUPACcyclohepta-1,3,6-triene-1-carboxamide;ethane
SMILESCC.NC(=O)C1=CC=CCC=C1
InChIInChI=1S/C8H9NO.C2H6/c9-8(10)7-5-3-1-2-4-6-7;1-2/h1,3-6H,2H2,(H2,9,10);1-2H3
InChIKeyDYAPVKIYFGMSSQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.94
Rot. Bonds1

About cyclohepta-1,3,6-triene-1-carboxamide;ethane

cyclohepta-1,3,6-triene-1-carboxamide;ethane (PubChem CID 143923802) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is cyclohepta-1,3,6-triene-1-carboxamide;ethane.

Molecular Properties

Compound Namecyclohepta-1,3,6-triene-1-carboxamide;ethane
PubChem CID143923802
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Namecyclohepta-1,3,6-triene-1-carboxamide;ethane
SMILESCC.NC(=O)C1=CC=CCC=C1
InChIInChI=1S/C8H9NO.C2H6/c9-8(10)7-5-3-1-2-4-6-7;1-2/h1,3-6H,2H2,(H2,9,10);1-2H3
InChIKeyDYAPVKIYFGMSSQ-UHFFFAOYSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohepta-1,3,6-triene-1-carboxamide
CID 53421645
1-cyclohepta-1,3,6-trien-1-ylpropan-1-one
CID 123139786
(2E)-1-cyclohepta-1,3,6-trien-1-yl-2-ethenylpenta-2,4-dien-1-one;ethane
CID 155599989
cyclohepta-1,3,6-trien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144610959
cyclohepta-1,3,6-trien-1-yl-(2-methyl-1,3-oxazol-4-yl)methanone;ethane
CID 143936239
cyclohepta-1,3,6-trien-1-yl-(3,4-dimethylphenyl)methanone
CID 142073743
4-(cyclohepta-1,3,6-triene-1-carbonyl)benzaldehyde
CID 143766006
(2E)-1-cyclohepta-1,3,6-trien-1-yl-2-ethenylpenta-2,4-dien-1-one
CID 155599990
[8-(cyclohepta-1,3,6-triene-1-carbonyloxy)naphthalen-1-yl] cyclohepta-1,3,6-triene-1-carboxylate
CID 145346910
N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
CID 91142648
cyclohepta-1,3,6-trien-1-amine
CID 141371533
ethane;ethene;3-methylcyclohepta-1,3,5-triene
CID 144635732

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,6-triene-1-carboxamide;ethane?
The IUPAC name of cyclohepta-1,3,6-triene-1-carboxamide;ethane (CID 143923802) is cyclohepta-1,3,6-triene-1-carboxamide;ethane.
What is the SMILES notation for cyclohepta-1,3,6-triene-1-carboxamide;ethane?
The canonical SMILES for cyclohepta-1,3,6-triene-1-carboxamide;ethane is CC.NC(=O)C1=CC=CCC=C1.
What is the InChIKey of cyclohepta-1,3,6-triene-1-carboxamide;ethane?
The InChIKey is DYAPVKIYFGMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c9-8(10)7-5-3-1-2-4-6-7;1-2/h1,3-6H,2H2,(H2,9,10);1-2H3.
What are the key properties of cyclohepta-1,3,6-triene-1-carboxamide;ethane?
cyclohepta-1,3,6-triene-1-carboxamide;ethane has a molecular weight of 165.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,6-triene-1-carboxamide;ethane is sourced from PubChem (CID 143923802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).