6-methylcyclohexa-1,3-diene-1-carboxamide

C8H11NO — CID 55289117

IUPAC6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC=CC=C1C(N)=O
InChIInChI=1S/C8H11NO/c1-6-4-2-3-5-7(6)8(9)10/h2-3,5-6H,4H2,1H3,(H2,9,10)
InChIKeyNJWMKAGYUMXCDC-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.99
Rot. Bonds1

About 6-methylcyclohexa-1,3-diene-1-carboxamide

6-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 55289117) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name6-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID55289117
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC=CC=C1C(N)=O
InChIInChI=1S/C8H11NO/c1-6-4-2-3-5-7(6)8(9)10/h2-3,5-6H,4H2,1H3,(H2,9,10)
InChIKeyNJWMKAGYUMXCDC-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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Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 6-methylcyclohexa-1,3-diene-1-carboxamide (CID 55289117) is 6-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 6-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 6-methylcyclohexa-1,3-diene-1-carboxamide is CC1CC=CC=C1C(N)=O.
What is the InChIKey of 6-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is NJWMKAGYUMXCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-4-2-3-5-7(6)8(9)10/h2-3,5-6H,4H2,1H3,(H2,9,10).
What are the key properties of 6-methylcyclohexa-1,3-diene-1-carboxamide?
6-methylcyclohexa-1,3-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 6-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 55289117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).