ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate

C15H26N2O2 — CID 123830280

IUPACethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
SMILESCC.CC.COC(=O)N1CCC(c2ccccn2)C1
InChIInChI=1S/C11H14N2O2.2C2H6/c1-15-11(14)13-7-5-9(8-13)10-4-2-3-6-12-10;2*1-2/h2-4,6,9H,5,7-8H2,1H3;2*1-2H3
InChIKeyCJPGWJBMFKCSDM-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.69
Rot. Bonds1

About ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate

ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate (PubChem CID 123830280) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
PubChem CID123830280
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nameethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
SMILESCC.CC.COC(=O)N1CCC(c2ccccn2)C1
InChIInChI=1S/C11H14N2O2.2C2H6/c1-15-11(14)13-7-5-9(8-13)10-4-2-3-6-12-10;2*1-2/h2-4,6,9H,5,7-8H2,1H3;2*1-2H3
InChIKeyCJPGWJBMFKCSDM-UHFFFAOYSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate (CID 123830280) is ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate is CC.CC.COC(=O)N1CCC(c2ccccn2)C1.
What is the InChIKey of ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate?
The InChIKey is CJPGWJBMFKCSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.2C2H6/c1-15-11(14)13-7-5-9(8-13)10-4-2-3-6-12-10;2*1-2/h2-4,6,9H,5,7-8H2,1H3;2*1-2H3.
What are the key properties of ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate?
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 123830280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).