5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine

C10H16N2 — CID 90789433

IUPAC5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine
SMILESCN1CCC(C2=CCCN=C2)C1
InChIInChI=1S/C10H16N2/c1-12-6-4-10(8-12)9-3-2-5-11-7-9/h3,7,10H,2,4-6,8H2,1H3
InChIKeyOXIKIESXLUYART-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.34
Rot. Bonds1

About 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine

5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine (PubChem CID 90789433) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine
PubChem CID90789433
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine
SMILESCN1CCC(C2=CCCN=C2)C1
InChIInChI=1S/C10H16N2/c1-12-6-4-10(8-12)9-3-2-5-11-7-9/h3,7,10H,2,4-6,8H2,1H3
InChIKeyOXIKIESXLUYART-UHFFFAOYSA-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

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Related Compounds

5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89056573
5-Methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
CID 118548947
5-Methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
CID 118549030
1-(Cyclohexen-1-ylmethylidene)pyrrolidin-1-ium
CID 123176271
2-Methyl-3-[3-(4-methylpenta-1,3-dien-2-yl)pyrrolidin-1-yl]propan-1-imine
CID 123712286
N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 123907392
1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]pyrrolidin-1-ium
CID 124162294
(Z)-N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 134590337
5-tert-butyl-2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]-2,3-dihydropyridine
CID 142264863
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822
3,5-Dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine
CID 146538365

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine?
The IUPAC name of 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine (CID 90789433) is 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine.
What is the SMILES notation for 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine?
The canonical SMILES for 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine is CN1CCC(C2=CCCN=C2)C1.
What is the InChIKey of 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine?
The InChIKey is OXIKIESXLUYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-6-4-10(8-12)9-3-2-5-11-7-9/h3,7,10H,2,4-6,8H2,1H3.
What are the key properties of 5-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine?
5-(1-methylpyrrolidin-3-yl)-2,3-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-(1-methylpyrrolidin-3-yl)-2,3-dihydropyridine is sourced from PubChem (CID 90789433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).