(5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate

C16H24N2O2 — CID 138724447

IUPAC(5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
SMILESCc1ccc(OC(=O)C2CC(C)(C)N(C)C2(C)C)nc1
InChIInChI=1S/C16H24N2O2/c1-11-7-8-13(17-10-11)20-14(19)12-9-15(2,3)18(6)16(12,4)5/h7-8,10,12H,9H2,1-6H3
InChIKeyUCRCMCPVGCDZFW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.80
Rot. Bonds2

About (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate

(5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate (PubChem CID 138724447) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
PubChem CID138724447
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
SMILESCc1ccc(OC(=O)C2CC(C)(C)N(C)C2(C)C)nc1
InChIInChI=1S/C16H24N2O2/c1-11-7-8-13(17-10-11)20-14(19)12-9-15(2,3)18(6)16(12,4)5/h7-8,10,12H,9H2,1-6H3
InChIKeyUCRCMCPVGCDZFW-UHFFFAOYSA-N
XLogP2.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The IUPAC name of (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate (CID 138724447) is (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate.
What is the SMILES notation for (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The canonical SMILES for (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate is Cc1ccc(OC(=O)C2CC(C)(C)N(C)C2(C)C)nc1.
What is the InChIKey of (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The InChIKey is UCRCMCPVGCDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-8-13(17-10-11)20-14(19)12-9-15(2,3)18(6)16(12,4)5/h7-8,10,12H,9H2,1-6H3.
What are the key properties of (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
(5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridinyl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 138724447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).