2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide

C9H13NO2 — CID 129171956

IUPAC2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide
SMILESO=C(CC1=CCCCC=C1)NO
InChIInChI=1S/C9H13NO2/c11-9(10-12)7-8-5-3-1-2-4-6-8/h3,5-6,12H,1-2,4,7H2,(H,10,11)
InChIKeySGKQMXCGWLQAIM-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.55
Rot. Bonds2

About 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide

2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide (PubChem CID 129171956) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide.

Molecular Properties

Compound Name2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide
PubChem CID129171956
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide
SMILESO=C(CC1=CCCCC=C1)NO
InChIInChI=1S/C9H13NO2/c11-9(10-12)7-8-5-3-1-2-4-6-8/h3,5-6,12H,1-2,4,7H2,(H,10,11)
InChIKeySGKQMXCGWLQAIM-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide?
The IUPAC name of 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide (CID 129171956) is 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide.
What is the SMILES notation for 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide?
The canonical SMILES for 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide is O=C(CC1=CCCCC=C1)NO.
What is the InChIKey of 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide?
The InChIKey is SGKQMXCGWLQAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-9(10-12)7-8-5-3-1-2-4-6-8/h3,5-6,12H,1-2,4,7H2,(H,10,11).
What are the key properties of 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide?
2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide has a molecular weight of 167.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,6-dien-1-yl-N-hydroxyacetamide is sourced from PubChem (CID 129171956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).