(2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine

C10H16N2 — CID 67991630

IUPAC(2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine
SMILESC[C@H]1CC=CC(N2CCCC2)=N1
InChIInChI=1S/C10H16N2/c1-9-5-4-6-10(11-9)12-7-2-3-8-12/h4,6,9H,2-3,5,7-8H2,1H3/t9-/m0/s1
InChIKeyHCRUPYYAIDPWTA-VIFPVBQESA-N
MW164.25 g/mol
LogP1.83
Rot. Bonds

About (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine

(2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine (PubChem CID 67991630) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine
PubChem CID67991630
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine
SMILESC[C@H]1CC=CC(N2CCCC2)=N1
InChIInChI=1S/C10H16N2/c1-9-5-4-6-10(11-9)12-7-2-3-8-12/h4,6,9H,2-3,5,7-8H2,1H3/t9-/m0/s1
InChIKeyHCRUPYYAIDPWTA-VIFPVBQESA-N
XLogP1.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine?
The IUPAC name of (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine (CID 67991630) is (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine?
The canonical SMILES for (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine is C[C@H]1CC=CC(N2CCCC2)=N1.
What is the InChIKey of (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine?
The InChIKey is HCRUPYYAIDPWTA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2/c1-9-5-4-6-10(11-9)12-7-2-3-8-12/h4,6,9H,2-3,5,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine?
(2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-pyrrolidin-1-yl-2,3-dihydropyridine is sourced from PubChem (CID 67991630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).