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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Related Compounds

4-Methoxyimino-2,3,6-trimethylcyclohexa-2,5-dien-1-one
CID 267144
(4Z)-4-methoxyimino-2,3,6-trimethylcyclohexa-2,5-dien-1-one
CID 5972573
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one
CID 134877412
3-(Oxazepin-3-yl)cyclobut-3-ene-1,2-dione
CID 23022014
2-(6-Propan-2-yloxyiminocyclohexa-1,3-dien-1-yl)acetaldehyde
CID 53706556
2-(6-Methoxyiminocyclohexa-1,3-dien-1-yl)acetaldehyde
CID 53797894
[(4-Acetylcyclohexa-2,4-dien-1-ylidene)amino] hypobromite
CID 53870620
[(4-Propanoylcyclohexa-2,4-dien-1-ylidene)amino] hypobromite
CID 53874027
1-(4-Methoxyiminocyclohexa-1,5-dien-1-yl)ethanone
CID 53916875
(E)-4-[(5E)-5-hydroxyiminocyclohexen-1-yl]but-3-en-2-one
CID 57729300
2,4-Ditert-butyl-6-methoxyiminocyclohexa-2,4-dien-1-one
CID 73839626

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).