N-cyclohexa-2,4-dien-1-ylacetamide;ethane

C12H23NO — CID 143325816

IUPACN-cyclohexa-2,4-dien-1-ylacetamide;ethane
SMILESCC.CC.CC(=O)NC1C=CC=CC1
InChIInChI=1S/C8H11NO.2C2H6/c1-7(10)9-8-5-3-2-4-6-8;2*1-2/h2-5,8H,6H2,1H3,(H,9,10);2*1-2H3
InChIKeyBCSXMLOZXUUKRW-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.06
Rot. Bonds1

About N-cyclohexa-2,4-dien-1-ylacetamide;ethane

N-cyclohexa-2,4-dien-1-ylacetamide;ethane (PubChem CID 143325816) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylacetamide;ethane.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylacetamide;ethane
PubChem CID143325816
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-cyclohexa-2,4-dien-1-ylacetamide;ethane
SMILESCC.CC.CC(=O)NC1C=CC=CC1
InChIInChI=1S/C8H11NO.2C2H6/c1-7(10)9-8-5-3-2-4-6-8;2*1-2/h2-5,8H,6H2,1H3,(H,9,10);2*1-2H3
InChIKeyBCSXMLOZXUUKRW-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-Methylpropyl)-2,6,8-decatrienamide
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N-Isobutyl-2,4,8-decatrienamide
CID 87311177
N-(2-Methylpropyl)-2,6,8-decatrienamide, (2E,6E,8E)-
CID 11506817
(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
CID 5321102
(2E,4E,8E)-N-butan-2-yldeca-2,4,8-trienamide
CID 6433895
(2E,6E,8Z)-N-(2-methylpropyl)deca-2,6,8-trienamide
CID 15558482
N-(2-Methylpropyl)deca-2,4,8-trienamide
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N-(Butan-2-yl)deca-2,4-dienamide
CID 71402968

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-ylacetamide;ethane?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylacetamide;ethane (CID 143325816) is N-cyclohexa-2,4-dien-1-ylacetamide;ethane.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylacetamide;ethane?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylacetamide;ethane is CC.CC.CC(=O)NC1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylacetamide;ethane?
The InChIKey is BCSXMLOZXUUKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.2C2H6/c1-7(10)9-8-5-3-2-4-6-8;2*1-2/h2-5,8H,6H2,1H3,(H,9,10);2*1-2H3.
What are the key properties of N-cyclohexa-2,4-dien-1-ylacetamide;ethane?
N-cyclohexa-2,4-dien-1-ylacetamide;ethane has a molecular weight of 197.32 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylacetamide;ethane is sourced from PubChem (CID 143325816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).