ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate

C12H19NO2 — CID 83854803

IUPACethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate
SMILESCCOC(=O)/C=C1/C=C(N(C)C)CCC1
InChIInChI=1S/C12H19NO2/c1-4-15-12(14)9-10-6-5-7-11(8-10)13(2)3/h8-9H,4-7H2,1-3H3/b10-9+
InChIKeyUUKVETNECBICDV-MDZDMXLPSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds3

About ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate

ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate (PubChem CID 83854803) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate
PubChem CID83854803
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate
SMILESCCOC(=O)/C=C1/C=C(N(C)C)CCC1
InChIInChI=1S/C12H19NO2/c1-4-15-12(14)9-10-6-5-7-11(8-10)13(2)3/h8-9H,4-7H2,1-3H3/b10-9+
InChIKeyUUKVETNECBICDV-MDZDMXLPSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate (CID 83854803) is ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate is CCOC(=O)/C=C1/C=C(N(C)C)CCC1.
What is the InChIKey of ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate?
The InChIKey is UUKVETNECBICDV-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-15-12(14)9-10-6-5-7-11(8-10)13(2)3/h8-9H,4-7H2,1-3H3/b10-9+.
What are the key properties of ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate?
ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate has a molecular weight of 209.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate is sourced from PubChem (CID 83854803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).