5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide

C12H19NO — CID 68632023

IUPAC5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCCC1C(C(N)=O)=CC=CC1(C)CC
InChIInChI=1S/C12H19NO/c1-4-10-9(11(13)14)7-6-8-12(10,3)5-2/h6-8,10H,4-5H2,1-3H3,(H2,13,14)
InChIKeyCNTPAPQBBDPIST-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.41
Rot. Bonds3

About 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide

5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 68632023) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID68632023
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCCC1C(C(N)=O)=CC=CC1(C)CC
InChIInChI=1S/C12H19NO/c1-4-10-9(11(13)14)7-6-8-12(10,3)5-2/h6-8,10H,4-5H2,1-3H3,(H2,13,14)
InChIKeyCNTPAPQBBDPIST-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide (CID 68632023) is 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide is CCC1C(C(N)=O)=CC=CC1(C)CC.
What is the InChIKey of 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is CNTPAPQBBDPIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-10-9(11(13)14)7-6-8-12(10,3)5-2/h6-8,10H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide?
5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-5-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 68632023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).