5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine

C10H16N2 — CID 90658037

IUPAC5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
SMILESCN1CCC[C@H]1C1C=CCN=C1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,8-10H,3,5-7H2,1H3/t9?,10-/m0/s1
InChIKeyFHQCTCOXKBQXGN-AXDSSHIGSA-N
MW164.25 g/mol
LogP1.34
Rot. Bonds1

About 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine

5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine (PubChem CID 90658037) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine.

Molecular Properties

Compound Name5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
PubChem CID90658037
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
SMILESCN1CCC[C@H]1C1C=CCN=C1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,8-10H,3,5-7H2,1H3/t9?,10-/m0/s1
InChIKeyFHQCTCOXKBQXGN-AXDSSHIGSA-N
XLogP1.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,6-Dihydronicotine
CID 90658036
(3S)-1-ethyl-3-(1-methylpyrrolidin-2-yl)-2,3-dihydropyridin-1-ium
CID 68038619
(3S)-1-methyl-3-(1-methylpyrrolidin-2-yl)-2,3-dihydropyridin-1-ium
CID 68038620
(3S)-1-ethyl-3-(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)-2,3-dihydropyridin-1-ium
CID 68038621
(3S)-3-(1-methylpyrrolidin-2-yl)-2,3-dihydropyridine
CID 68038625
(3S)-3-(1,1-dimethylpyrrolidin-1-ium-2-yl)-1-methyl-2,3-dihydropyridin-1-ium
CID 68038628
(3S)-1-ethyl-3-[(1S)-1-ethyl-1-methylpyrrolidin-1-ium-2-yl]-2,3-dihydropyridin-1-ium
CID 68222420
N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine
CID 71040680
5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89056573
3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89069785
(2Z,4E)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]hexa-2,4-dien-1-imine
CID 89839679
N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
CID 123481717

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine?
The IUPAC name of 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine (CID 90658037) is 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine.
What is the SMILES notation for 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine?
The canonical SMILES for 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine is CN1CCC[C@H]1C1C=CCN=C1.
What is the InChIKey of 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine?
The InChIKey is FHQCTCOXKBQXGN-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,8-10H,3,5-7H2,1H3/t9?,10-/m0/s1.
What are the key properties of 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine?
5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine is sourced from PubChem (CID 90658037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).