N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide

C13H19NO — CID 143038803

IUPACN-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
SMILESCCC1=C(NC(C)=O)C=CC(C)(C)C=C1
InChIInChI=1S/C13H19NO/c1-5-11-6-8-13(3,4)9-7-12(11)14-10(2)15/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyZRLBKEDRXZJQGA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.94
Rot. Bonds2

About N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide

N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide (PubChem CID 143038803) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
PubChem CID143038803
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
SMILESCCC1=C(NC(C)=O)C=CC(C)(C)C=C1
InChIInChI=1S/C13H19NO/c1-5-11-6-8-13(3,4)9-7-12(11)14-10(2)15/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyZRLBKEDRXZJQGA-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide (CID 143038803) is N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide is CCC1=C(NC(C)=O)C=CC(C)(C)C=C1.
What is the InChIKey of N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide?
The InChIKey is ZRLBKEDRXZJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-11-6-8-13(3,4)9-7-12(11)14-10(2)15/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide?
N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide has a molecular weight of 205.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide is sourced from PubChem (CID 143038803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).