ethyl 2-[(3-oxocyclohexylidene)amino]acetate

C10H15NO3 — CID 123886282

IUPACethyl 2-[(3-oxocyclohexylidene)amino]acetate
SMILESCCOC(=O)C/N=C1\CCCC(=O)C1
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)7-11-8-4-3-5-9(12)6-8/h2-7H2,1H3/b11-8+
InChIKeyRVESIMAAISKYIE-DHZHZOJOSA-N
MW197.23 g/mol
LogP1.13
Rot. Bonds3

About ethyl 2-[(3-oxocyclohexylidene)amino]acetate

ethyl 2-[(3-oxocyclohexylidene)amino]acetate (PubChem CID 123886282) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-[(3-oxocyclohexylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-oxocyclohexylidene)amino]acetate
PubChem CID123886282
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-[(3-oxocyclohexylidene)amino]acetate
SMILESCCOC(=O)C/N=C1\CCCC(=O)C1
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)7-11-8-4-3-5-9(12)6-8/h2-7H2,1H3/b11-8+
InChIKeyRVESIMAAISKYIE-DHZHZOJOSA-N
XLogP1.13
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-[(3-oxocyclohexylidene)amino]acetate
CID 123701676
Methyl 2-[(3-oxocyclohexylidene)amino]acetate
CID 123778468
Propan-2-yl 2-(cyclohexylideneamino)acetate
CID 141401798

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-oxocyclohexylidene)amino]acetate?
The IUPAC name of ethyl 2-[(3-oxocyclohexylidene)amino]acetate (CID 123886282) is ethyl 2-[(3-oxocyclohexylidene)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-oxocyclohexylidene)amino]acetate?
The canonical SMILES for ethyl 2-[(3-oxocyclohexylidene)amino]acetate is CCOC(=O)C/N=C1\CCCC(=O)C1.
What is the InChIKey of ethyl 2-[(3-oxocyclohexylidene)amino]acetate?
The InChIKey is RVESIMAAISKYIE-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-10(13)7-11-8-4-3-5-9(12)6-8/h2-7H2,1H3/b11-8+.
What are the key properties of ethyl 2-[(3-oxocyclohexylidene)amino]acetate?
ethyl 2-[(3-oxocyclohexylidene)amino]acetate has a molecular weight of 197.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-oxocyclohexylidene)amino]acetate is sourced from PubChem (CID 123886282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).