ethyl 2-(4-acetyliminocyclohexyl)acetate

C12H19NO3 — CID 143526012

IUPACethyl 2-(4-acetyliminocyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(=NC(C)=O)CC1
InChIInChI=1S/C12H19NO3/c1-3-16-12(15)8-10-4-6-11(7-5-10)13-9(2)14/h10H,3-8H2,1-2H3/b13-11-
InChIKeyWQDIQSGOYUXOOG-QBFSEMIESA-N
MW225.29 g/mol
LogP2.12
Rot. Bonds3

About ethyl 2-(4-acetyliminocyclohexyl)acetate

ethyl 2-(4-acetyliminocyclohexyl)acetate (PubChem CID 143526012) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-(4-acetyliminocyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-acetyliminocyclohexyl)acetate
PubChem CID143526012
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-(4-acetyliminocyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(=NC(C)=O)CC1
InChIInChI=1S/C12H19NO3/c1-3-16-12(15)8-10-4-6-11(7-5-10)13-9(2)14/h10H,3-8H2,1-2H3/b13-11-
InChIKeyWQDIQSGOYUXOOG-QBFSEMIESA-N
XLogP2.12
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
Cyclohexanecarboxylic acid, 4-(hydroxyimino)-, ethyl ester
CID 11593553
Ethyl 2-imino-3-methylcyclohexane-1-carboxylate
CID 90724342
ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate
CID 177606095
Ethyl 2-cyclohexyl-2-iminoacetate
CID 13619870
cis-ethyl (1R,2R)-2-butyl-4-methoxyiminocyclohexane-1-carboxylate
CID 53647630
Ethyl 2-(2-ethoxy-2-oxoethyl)iminocyclohexane-1-carboxylate
CID 56638290
Ethyl 3-cyanoimino-3-cyclohexyl-2-methylpropanoate
CID 57187451
Ethyl 2-iminocyclohexane-1-carboxylate
CID 57207114
Ethyl 4-hydrazinylidenecyclohexane-1-carboxylate
CID 59018709
4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one
CID 70098962
Ethyl 5-cyclohexyl-2-hydroxyiminopentanoate
CID 73432704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetyliminocyclohexyl)acetate?
The IUPAC name of ethyl 2-(4-acetyliminocyclohexyl)acetate (CID 143526012) is ethyl 2-(4-acetyliminocyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(4-acetyliminocyclohexyl)acetate?
The canonical SMILES for ethyl 2-(4-acetyliminocyclohexyl)acetate is CCOC(=O)CC1CCC(=NC(C)=O)CC1.
What is the InChIKey of ethyl 2-(4-acetyliminocyclohexyl)acetate?
The InChIKey is WQDIQSGOYUXOOG-QBFSEMIESA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-12(15)8-10-4-6-11(7-5-10)13-9(2)14/h10H,3-8H2,1-2H3/b13-11-.
What are the key properties of ethyl 2-(4-acetyliminocyclohexyl)acetate?
ethyl 2-(4-acetyliminocyclohexyl)acetate has a molecular weight of 225.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetyliminocyclohexyl)acetate is sourced from PubChem (CID 143526012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).