6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide

C12H19NO — CID 70061910

IUPAC6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C)C1(C)C=CC=CC1C(N)=O
InChIInChI=1S/C12H19NO/c1-11(2,3)12(4)8-6-5-7-9(12)10(13)14/h5-9H,1-4H3,(H2,13,14)
InChIKeyHHQINPRFYVZULZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.27
Rot. Bonds1

About 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide

6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 70061910) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID70061910
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C)C1(C)C=CC=CC1C(N)=O
InChIInChI=1S/C12H19NO/c1-11(2,3)12(4)8-6-5-7-9(12)10(13)14/h5-9H,1-4H3,(H2,13,14)
InChIKeyHHQINPRFYVZULZ-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide (CID 70061910) is 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide is CC(C)(C)C1(C)C=CC=CC1C(N)=O.
What is the InChIKey of 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is HHQINPRFYVZULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(2,3)12(4)8-6-5-7-9(12)10(13)14/h5-9H,1-4H3,(H2,13,14).
What are the key properties of 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide?
6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70061910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).