8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C10H11NO — CID 45084610

IUPAC8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC1c2ccccc2C1C(N)=O
InChIInChI=1S/C10H11NO/c1-6-7-4-2-3-5-8(7)9(6)10(11)12/h2-6,9H,1H3,(H2,11,12)
InChIKeyKBKXSRCCMFEDSU-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.37
Rot. Bonds1

About 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 45084610) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound Name8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID45084610
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC1c2ccccc2C1C(N)=O
InChIInChI=1S/C10H11NO/c1-6-7-4-2-3-5-8(7)9(6)10(11)12/h2-6,9H,1H3,(H2,11,12)
InChIKeyKBKXSRCCMFEDSU-UHFFFAOYSA-N
XLogP1.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 142007769
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
CID 173274923
CID 173274923
2-N-methyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
CID 68988883
1-(2-chloroacetyl)-2,4-dimethyl-3,4-dihydro-2H-quinoline-3-carboxamide
CID 18071415
10-methyl-9H-acridine-9-carboxamide
CID 118456170
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
(2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide
CID 55266155
1,3-dimethyl-1,2,4,5-tetrahydro-3-benzazepine-5-carboxamide
CID 173111945

Frequently Asked Questions

What is the IUPAC name of 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 45084610) is 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CC1c2ccccc2C1C(N)=O.
What is the InChIKey of 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is KBKXSRCCMFEDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-7-4-2-3-5-8(7)9(6)10(11)12/h2-6,9H,1H3,(H2,11,12).
What are the key properties of 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 161.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 45084610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).