ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide

C11H18N2O2 — CID 145414229

IUPACethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCC.CC1=CC(NC(=O)/C=N/O)=CCC1
InChIInChI=1S/C9H12N2O2.C2H6/c1-7-3-2-4-8(5-7)11-9(12)6-10-13;1-2/h4-6,13H,2-3H2,1H3,(H,11,12);1-2H3/b10-6+;
InChIKeyZQZROMBNCDNJRF-AAGWESIMSA-N
MW210.28 g/mol
LogP2.21
Rot. Bonds2

About ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide

ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 145414229) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound Nameethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide
PubChem CID145414229
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCC.CC1=CC(NC(=O)/C=N/O)=CCC1
InChIInChI=1S/C9H12N2O2.C2H6/c1-7-3-2-4-8(5-7)11-9(12)6-10-13;1-2/h4-6,13H,2-3H2,1H3,(H,11,12);1-2H3/b10-6+;
InChIKeyZQZROMBNCDNJRF-AAGWESIMSA-N
XLogP2.21
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide (CID 145414229) is ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide is CC.CC1=CC(NC(=O)/C=N/O)=CCC1.
What is the InChIKey of ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is ZQZROMBNCDNJRF-AAGWESIMSA-N. The full InChI is InChI=1S/C9H12N2O2.C2H6/c1-7-3-2-4-8(5-7)11-9(12)6-10-13;1-2/h4-6,13H,2-3H2,1H3,(H,11,12);1-2H3/b10-6+;.
What are the key properties of ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide?
ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 210.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-hydroxyimino-N-(5-methylcyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 145414229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).