2-cyclohepta-2,4,6-trien-1-ylacetamide

C9H11NO — CID 55288601

IUPAC2-cyclohepta-2,4,6-trien-1-ylacetamide
SMILESNC(=O)CC1C=CC=CC=C1
InChIInChI=1S/C9H11NO/c10-9(11)7-8-5-3-1-2-4-6-8/h1-6,8H,7H2,(H2,10,11)
InChIKeyCKVDFWDAPUBSQN-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.16
Rot. Bonds2

About 2-cyclohepta-2,4,6-trien-1-ylacetamide

2-cyclohepta-2,4,6-trien-1-ylacetamide (PubChem CID 55288601) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-cyclohepta-2,4,6-trien-1-ylacetamide.

Molecular Properties

Compound Name2-cyclohepta-2,4,6-trien-1-ylacetamide
PubChem CID55288601
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-cyclohepta-2,4,6-trien-1-ylacetamide
SMILESNC(=O)CC1C=CC=CC=C1
InChIInChI=1S/C9H11NO/c10-9(11)7-8-5-3-1-2-4-6-8/h1-6,8H,7H2,(H2,10,11)
InChIKeyCKVDFWDAPUBSQN-UHFFFAOYSA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-2,4,6-trien-1-ylacetamide?
The IUPAC name of 2-cyclohepta-2,4,6-trien-1-ylacetamide (CID 55288601) is 2-cyclohepta-2,4,6-trien-1-ylacetamide.
What is the SMILES notation for 2-cyclohepta-2,4,6-trien-1-ylacetamide?
The canonical SMILES for 2-cyclohepta-2,4,6-trien-1-ylacetamide is NC(=O)CC1C=CC=CC=C1.
What is the InChIKey of 2-cyclohepta-2,4,6-trien-1-ylacetamide?
The InChIKey is CKVDFWDAPUBSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(11)7-8-5-3-1-2-4-6-8/h1-6,8H,7H2,(H2,10,11).
What are the key properties of 2-cyclohepta-2,4,6-trien-1-ylacetamide?
2-cyclohepta-2,4,6-trien-1-ylacetamide has a molecular weight of 149.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-2,4,6-trien-1-ylacetamide is sourced from PubChem (CID 55288601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).