N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide

C13H19NO — CID 70924617

IUPACN-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCCCC1=CC(NC(C)=O)=C(C)CC=C1
InChIInChI=1S/C13H19NO/c1-4-6-12-8-5-7-10(2)13(9-12)14-11(3)15/h5,8-9H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyWBQZQIMQLHPIGW-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.08
Rot. Bonds3

About N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide

N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide (PubChem CID 70924617) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide
PubChem CID70924617
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCCCC1=CC(NC(C)=O)=C(C)CC=C1
InChIInChI=1S/C13H19NO/c1-4-6-12-8-5-7-10(2)13(9-12)14-11(3)15/h5,8-9H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyWBQZQIMQLHPIGW-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide?
The IUPAC name of N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide (CID 70924617) is N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide is CCCC1=CC(NC(C)=O)=C(C)CC=C1.
What is the InChIKey of N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide?
The InChIKey is WBQZQIMQLHPIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-6-12-8-5-7-10(2)13(9-12)14-11(3)15/h5,8-9H,4,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide?
N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide has a molecular weight of 205.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide is sourced from PubChem (CID 70924617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).