ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide

C10H15NO3 — CID 177314302

IUPACethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
SMILESCC.NC(=O)CC1(O)C=CC(=O)C=C1
InChIInChI=1S/C8H9NO3.C2H6/c9-7(11)5-8(12)3-1-6(10)2-4-8;1-2/h1-4,12H,5H2,(H2,9,11);1-2H3
InChIKeyGWXPOGIKNOOZGQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.31
Rot. Bonds2

About ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide

ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide (PubChem CID 177314302) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
PubChem CID177314302
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
SMILESCC.NC(=O)CC1(O)C=CC(=O)C=C1
InChIInChI=1S/C8H9NO3.C2H6/c9-7(11)5-8(12)3-1-6(10)2-4-8;1-2/h1-4,12H,5H2,(H2,9,11);1-2H3
InChIKeyGWXPOGIKNOOZGQ-UHFFFAOYSA-N
XLogP0.31
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide?
The IUPAC name of ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide (CID 177314302) is ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide.
What is the SMILES notation for ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide?
The canonical SMILES for ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide is CC.NC(=O)CC1(O)C=CC(=O)C=C1.
What is the InChIKey of ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide?
The InChIKey is GWXPOGIKNOOZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C2H6/c9-7(11)5-8(12)3-1-6(10)2-4-8;1-2/h1-4,12H,5H2,(H2,9,11);1-2H3.
What are the key properties of ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide?
ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide has a molecular weight of 197.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide is sourced from PubChem (CID 177314302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).