1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one

C11H15NO2 — CID 88876154

IUPAC1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one
SMILESCCON=C1CC=CC=C1C(=O)CC
InChIInChI=1S/C11H15NO2/c1-3-11(13)9-7-5-6-8-10(9)12-14-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyVTSYGXUEDNHTGP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.24
Rot. Bonds4

About 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one

1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one (PubChem CID 88876154) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one
PubChem CID88876154
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one
SMILESCCON=C1CC=CC=C1C(=O)CC
InChIInChI=1S/C11H15NO2/c1-3-11(13)9-7-5-6-8-10(9)12-14-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyVTSYGXUEDNHTGP-UHFFFAOYSA-N
XLogP2.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one?
The IUPAC name of 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one (CID 88876154) is 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one.
What is the SMILES notation for 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one?
The canonical SMILES for 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one is CCON=C1CC=CC=C1C(=O)CC.
What is the InChIKey of 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one?
The InChIKey is VTSYGXUEDNHTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-11(13)9-7-5-6-8-10(9)12-14-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one?
1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one has a molecular weight of 193.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxyiminocyclohexa-1,3-dien-1-yl)propan-1-one is sourced from PubChem (CID 88876154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).