(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile

C11H13N3 — CID 21124107

IUPAC(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile
SMILESCN1C(C#N)CC[C@H]1c1cccnc1
InChIInChI=1S/C11H13N3/c1-14-10(7-12)4-5-11(14)9-3-2-6-13-8-9/h2-3,6,8,10-11H,4-5H2,1H3/t10?,11-/m0/s1
InChIKeyDUKKSGGNSSFORH-DTIOYNMSSA-N
MW187.25 g/mol
LogP1.74
Rot. Bonds1

About (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile

(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile (PubChem CID 21124107) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile
PubChem CID21124107
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile
SMILESCN1C(C#N)CC[C@H]1c1cccnc1
InChIInChI=1S/C11H13N3/c1-14-10(7-12)4-5-11(14)9-3-2-6-13-8-9/h2-3,6,8,10-11H,4-5H2,1H3/t10?,11-/m0/s1
InChIKeyDUKKSGGNSSFORH-DTIOYNMSSA-N
XLogP1.74
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
CID 67821180
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
CID 21152440
3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid
CID 19105223
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile?
The IUPAC name of (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile (CID 21124107) is (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile?
The canonical SMILES for (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile is CN1C(C#N)CC[C@H]1c1cccnc1.
What is the InChIKey of (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile?
The InChIKey is DUKKSGGNSSFORH-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-10(7-12)4-5-11(14)9-3-2-6-13-8-9/h2-3,6,8,10-11H,4-5H2,1H3/t10?,11-/m0/s1.
What are the key properties of (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile?
(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 21124107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).