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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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
methyl (3R)-3-[[(S)-phenyl(pyridin-2-yl)methyl]amino]pyrrolidine-1-carboxylate
CID 99781986
1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 71801548
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
N-cyclohexyl-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 68873162
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide
CID 154799785
[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 134209461
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one
CID 166375860

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).