2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide

C10H15NO — CID 54481215

IUPAC2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
SMILESCCNC(=O)CC1C=CC=CC1
InChIInChI=1S/C10H15NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-6,9H,2,7-8H2,1H3,(H,11,12)
InChIKeyJTDCNSQFHKHROB-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.64
Rot. Bonds3

About 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide

2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide (PubChem CID 54481215) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
PubChem CID54481215
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
SMILESCCNC(=O)CC1C=CC=CC1
InChIInChI=1S/C10H15NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-6,9H,2,7-8H2,1H3,(H,11,12)
InChIKeyJTDCNSQFHKHROB-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide (CID 54481215) is 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide is CCNC(=O)CC1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide?
The InChIKey is JTDCNSQFHKHROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-6,9H,2,7-8H2,1H3,(H,11,12).
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide?
2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide has a molecular weight of 165.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide is sourced from PubChem (CID 54481215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).