3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide

C11H17NO — CID 66874081

IUPAC3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC(C(N)=O)C(C)(C)C(C)=C1
InChIInChI=1S/C11H17NO/c1-7-5-8(2)11(3,4)9(6-7)10(12)13/h5-6,9H,1-4H3,(H2,12,13)
InChIKeyWLLPRQYNFPVPQQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.02
Rot. Bonds1

About 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide

3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 66874081) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide
PubChem CID66874081
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC(C(N)=O)C(C)(C)C(C)=C1
InChIInChI=1S/C11H17NO/c1-7-5-8(2)11(3,4)9(6-7)10(12)13/h5-6,9H,1-4H3,(H2,12,13)
InChIKeyWLLPRQYNFPVPQQ-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide (CID 66874081) is 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide is CC1=CC(C(N)=O)C(C)(C)C(C)=C1.
What is the InChIKey of 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is WLLPRQYNFPVPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-5-8(2)11(3,4)9(6-7)10(12)13/h5-6,9H,1-4H3,(H2,12,13).
What are the key properties of 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide?
3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 66874081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).