3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine

C11H14N2 — CID 89060766

IUPAC3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine
SMILES[2H]C([2H])N1C(=C)CCC1c1cccnc1
InChIInChI=1S/C11H14N2/c1-9-5-6-11(13(9)2)10-4-3-7-12-8-10/h3-4,7-8,11H,1,5-6H2,2H3/i2D2
InChIKeyRCVCSFZMSAYKCA-CBTSVUPCSA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds2

About 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine

3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine (PubChem CID 89060766) has the molecular formula C11H14N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine
PubChem CID89060766
Molecular FormulaC11H14N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine
SMILES[2H]C([2H])N1C(=C)CCC1c1cccnc1
InChIInChI=1S/C11H14N2/c1-9-5-6-11(13(9)2)10-4-3-7-12-8-10/h3-4,7-8,11H,1,5-6H2,2H3/i2D2
InChIKeyRCVCSFZMSAYKCA-CBTSVUPCSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine (CID 89060766) is 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine is [2H]C([2H])N1C(=C)CCC1c1cccnc1.
What is the InChIKey of 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine?
The InChIKey is RCVCSFZMSAYKCA-CBTSVUPCSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-5-6-11(13(9)2)10-4-3-7-12-8-10/h3-4,7-8,11H,1,5-6H2,2H3/i2D2.
What are the key properties of 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine?
3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dideuteriomethyl)-5-methylidenepyrrolidin-2-yl]pyridine is sourced from PubChem (CID 89060766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).