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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Related Compounds

methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate
CID 143459698
6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene
CID 144719031
2-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 149153499
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 155115230
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
cyclohexa-2,4-diene-1,2-dicarbohydrazide
CID 141146166
1,3,3a,4-tetrahydro-2-benzothiophene-1-carboxamide
CID 140615269
2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde
CID 123830192
chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
CID 15826882
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714

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).