N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide

C10H15NO — CID 22064862

IUPACN-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCCC1C=CC(NC(C)=O)=CC1
InChIInChI=1S/C10H15NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h4,6-7,9H,3,5H2,1-2H3,(H,11,12)
InChIKeyAFYDMIXIQUHBSC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.99
Rot. Bonds2

About N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide

N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 22064862) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide
PubChem CID22064862
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCCC1C=CC(NC(C)=O)=CC1
InChIInChI=1S/C10H15NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h4,6-7,9H,3,5H2,1-2H3,(H,11,12)
InChIKeyAFYDMIXIQUHBSC-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19382580
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CID 89107117
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N-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 143974056
3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one
CID 177039417
N,N'-diacetyl-p-toluenediamine
CID 129849391
N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide
CID 143763676
N-[4-methyl-3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]acetamide
CID 162609196
5-Ethyl-4,6-dimethylpyridin-2(1H)-one
CID 12589334
6-butan-2-yl-1H-pyridin-2-one
CID 14763254
N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide
CID 17837298

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide (CID 22064862) is N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide is CCC1C=CC(NC(C)=O)=CC1.
What is the InChIKey of N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is AFYDMIXIQUHBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h4,6-7,9H,3,5H2,1-2H3,(H,11,12).
What are the key properties of N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide?
N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 22064862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).