2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide

C12H19NO — CID 155115230

IUPAC2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC=CC(C(C)(C)C)=C1C(N)=O
InChIInChI=1S/C12H19NO/c1-8-6-5-7-9(12(2,3)4)10(8)11(13)14/h5,7-8H,6H2,1-4H3,(H2,13,14)
InChIKeyKALFMLCPCIAEJN-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.41
Rot. Bonds1

About 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide

2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 155115230) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID155115230
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC=CC(C(C)(C)C)=C1C(N)=O
InChIInChI=1S/C12H19NO/c1-8-6-5-7-9(12(2,3)4)10(8)11(13)14/h5,7-8H,6H2,1-4H3,(H2,13,14)
InChIKeyKALFMLCPCIAEJN-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide (CID 155115230) is 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide is CC1CC=CC(C(C)(C)C)=C1C(N)=O.
What is the InChIKey of 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is KALFMLCPCIAEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-5-7-9(12(2,3)4)10(8)11(13)14/h5,7-8H,6H2,1-4H3,(H2,13,14).
What are the key properties of 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide?
2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 155115230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).