ethyl 1-cyanoindolizine-2-carboxylate

C12H10N2O2 — CID 15749962

IUPACethyl 1-cyanoindolizine-2-carboxylate
SMILESCCOC(=O)c1cn2ccccc2c1C#N
InChIInChI=1S/C12H10N2O2/c1-2-16-12(15)10-8-14-6-4-3-5-11(14)9(10)7-13/h3-6,8H,2H2,1H3
InChIKeyQPUXQUVRMGQIOZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.99
Rot. Bonds2

About ethyl 1-cyanoindolizine-2-carboxylate

ethyl 1-cyanoindolizine-2-carboxylate (PubChem CID 15749962) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 1-cyanoindolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyanoindolizine-2-carboxylate
PubChem CID15749962
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Nameethyl 1-cyanoindolizine-2-carboxylate
SMILESCCOC(=O)c1cn2ccccc2c1C#N
InChIInChI=1S/C12H10N2O2/c1-2-16-12(15)10-8-14-6-4-3-5-11(14)9(10)7-13/h3-6,8H,2H2,1H3
InChIKeyQPUXQUVRMGQIOZ-UHFFFAOYSA-N
XLogP1.99
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyanoindolizine-2-carboxylate?
The IUPAC name of ethyl 1-cyanoindolizine-2-carboxylate (CID 15749962) is ethyl 1-cyanoindolizine-2-carboxylate.
What is the SMILES notation for ethyl 1-cyanoindolizine-2-carboxylate?
The canonical SMILES for ethyl 1-cyanoindolizine-2-carboxylate is CCOC(=O)c1cn2ccccc2c1C#N.
What is the InChIKey of ethyl 1-cyanoindolizine-2-carboxylate?
The InChIKey is QPUXQUVRMGQIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-16-12(15)10-8-14-6-4-3-5-11(14)9(10)7-13/h3-6,8H,2H2,1H3.
What are the key properties of ethyl 1-cyanoindolizine-2-carboxylate?
ethyl 1-cyanoindolizine-2-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyanoindolizine-2-carboxylate is sourced from PubChem (CID 15749962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).