5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide

C12H19NO — CID 171523614

IUPAC5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCCC1C=CC(C)=C(C(=O)N(C)C)C1
InChIInChI=1S/C12H19NO/c1-5-10-7-6-9(2)11(8-10)12(14)13(3)4/h6-7,10H,5,8H2,1-4H3
InChIKeyQVWAGTPXHRFHND-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds2

About 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide

5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 171523614) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide
PubChem CID171523614
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCCC1C=CC(C)=C(C(=O)N(C)C)C1
InChIInChI=1S/C12H19NO/c1-5-10-7-6-9(2)11(8-10)12(14)13(3)4/h6-7,10H,5,8H2,1-4H3
InChIKeyQVWAGTPXHRFHND-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide (CID 171523614) is 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide is CCC1C=CC(C)=C(C(=O)N(C)C)C1.
What is the InChIKey of 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is QVWAGTPXHRFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-10-7-6-9(2)11(8-10)12(14)13(3)4/h6-7,10H,5,8H2,1-4H3.
What are the key properties of 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide?
5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N,2-trimethylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 171523614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).