N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide

C10H17NO4 — CID 177396402

IUPACN-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide
SMILESCCOC(=O)/C=[N+](/[O-])OC1CCCCC1
InChIInChI=1S/C10H17NO4/c1-2-14-10(12)8-11(13)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b11-8-
InChIKeyOELYGJDVTDDNOI-FLIBITNWSA-N
MW215.25 g/mol
LogP1.39
Rot. Bonds4

About N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide

N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide (PubChem CID 177396402) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide.

Molecular Properties

Compound NameN-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide
PubChem CID177396402
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide
SMILESCCOC(=O)/C=[N+](/[O-])OC1CCCCC1
InChIInChI=1S/C10H17NO4/c1-2-14-10(12)8-11(13)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b11-8-
InChIKeyOELYGJDVTDDNOI-FLIBITNWSA-N
XLogP1.39
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-4-cyclopentyloxybut-2-enoate
CID 80545801
diethyl 2,3-dicyclopentyloxybutanedioate
CID 139989407
ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate
CID 138979949
ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate
CID 46906509
ethyl (E)-3-cyclopentylbut-2-enoate
CID 89095864
ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
CID 46200258
ethyl 4-(cyclohexylamino)pent-2-enoate
CID 75145895
ethyl (E)-4-(cyclohexylamino)pent-2-enoate
CID 131740586
ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
ethyl (E)-3-(cyclohexylamino)but-2-enoate
CID 15555337
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
dicyclohexyl (Z)-but-2-enedioate;2-(ethoxymethyl)-2-propylpropanedioic acid
CID 158872696

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide?
The IUPAC name of N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide (CID 177396402) is N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide.
What is the SMILES notation for N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide?
The canonical SMILES for N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide is CCOC(=O)/C=[N+](/[O-])OC1CCCCC1.
What is the InChIKey of N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide?
The InChIKey is OELYGJDVTDDNOI-FLIBITNWSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-14-10(12)8-11(13)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b11-8-.
What are the key properties of N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide?
N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide has a molecular weight of 215.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyloxy-2-ethoxy-2-oxoethanimine oxide is sourced from PubChem (CID 177396402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).