3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine

C11H16N2 — CID 12960093

IUPAC3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine
SMILESC[C@H]1C[C@@H](c2cccnc2)N(C)C1
InChIInChI=1S/C11H16N2/c1-9-6-11(13(2)8-9)10-4-3-5-12-7-10/h3-5,7,9,11H,6,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyFFVWMSOTNFVMFW-ONGXEEELSA-N
MW176.26 g/mol
LogP2.09
Rot. Bonds1

About 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine

3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine (PubChem CID 12960093) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine
PubChem CID12960093
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine
SMILESC[C@H]1C[C@@H](c2cccnc2)N(C)C1
InChIInChI=1S/C11H16N2/c1-9-6-11(13(2)8-9)10-4-3-5-12-7-10/h3-5,7,9,11H,6,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyFFVWMSOTNFVMFW-ONGXEEELSA-N
XLogP2.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine (CID 12960093) is 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine is C[C@H]1C[C@@H](c2cccnc2)N(C)C1.
What is the InChIKey of 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine?
The InChIKey is FFVWMSOTNFVMFW-ONGXEEELSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-6-11(13(2)8-9)10-4-3-5-12-7-10/h3-5,7,9,11H,6,8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine?
3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine has a molecular weight of 176.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 12960093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).