ethyl 3-(cyclohexylideneamino)propanoate

C11H19NO2 — CID 58720697

IUPACethyl 3-(cyclohexylideneamino)propanoate
SMILESCCOC(=O)CCN=C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyZXDWFCYRHHHHTL-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.34
Rot. Bonds4

About ethyl 3-(cyclohexylideneamino)propanoate

ethyl 3-(cyclohexylideneamino)propanoate (PubChem CID 58720697) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 3-(cyclohexylideneamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclohexylideneamino)propanoate
PubChem CID58720697
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 3-(cyclohexylideneamino)propanoate
SMILESCCOC(=O)CCN=C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyZXDWFCYRHHHHTL-UHFFFAOYSA-N
XLogP2.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexylideneamino)propanoate?
The IUPAC name of ethyl 3-(cyclohexylideneamino)propanoate (CID 58720697) is ethyl 3-(cyclohexylideneamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclohexylideneamino)propanoate?
The canonical SMILES for ethyl 3-(cyclohexylideneamino)propanoate is CCOC(=O)CCN=C1CCCCC1.
What is the InChIKey of ethyl 3-(cyclohexylideneamino)propanoate?
The InChIKey is ZXDWFCYRHHHHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h2-9H2,1H3.
What are the key properties of ethyl 3-(cyclohexylideneamino)propanoate?
ethyl 3-(cyclohexylideneamino)propanoate has a molecular weight of 197.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexylideneamino)propanoate is sourced from PubChem (CID 58720697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).