N-cyclohepta-1,4,6-trien-1-ylacetamide

C9H11NO — CID 142183927

IUPACN-cyclohepta-1,4,6-trien-1-ylacetamide
SMILESCC(=O)NC1=CCC=CC=C1
InChIInChI=1S/C9H11NO/c1-8(11)10-9-6-4-2-3-5-7-9/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyCXDOXNDXILYALC-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.52
Rot. Bonds1

About N-cyclohepta-1,4,6-trien-1-ylacetamide

N-cyclohepta-1,4,6-trien-1-ylacetamide (PubChem CID 142183927) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-cyclohepta-1,4,6-trien-1-ylacetamide.

Molecular Properties

Compound NameN-cyclohepta-1,4,6-trien-1-ylacetamide
PubChem CID142183927
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-cyclohepta-1,4,6-trien-1-ylacetamide
SMILESCC(=O)NC1=CCC=CC=C1
InChIInChI=1S/C9H11NO/c1-8(11)10-9-6-4-2-3-5-7-9/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyCXDOXNDXILYALC-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,4,6-trien-1-ylacetamide?
The IUPAC name of N-cyclohepta-1,4,6-trien-1-ylacetamide (CID 142183927) is N-cyclohepta-1,4,6-trien-1-ylacetamide.
What is the SMILES notation for N-cyclohepta-1,4,6-trien-1-ylacetamide?
The canonical SMILES for N-cyclohepta-1,4,6-trien-1-ylacetamide is CC(=O)NC1=CCC=CC=C1.
What is the InChIKey of N-cyclohepta-1,4,6-trien-1-ylacetamide?
The InChIKey is CXDOXNDXILYALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(11)10-9-6-4-2-3-5-7-9/h2-4,6-7H,5H2,1H3,(H,10,11).
What are the key properties of N-cyclohepta-1,4,6-trien-1-ylacetamide?
N-cyclohepta-1,4,6-trien-1-ylacetamide has a molecular weight of 149.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,4,6-trien-1-ylacetamide is sourced from PubChem (CID 142183927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).