1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine

C11H20N2 — CID 66930868

IUPAC1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(C2CCCN2C)C1
InChIInChI=1S/C11H20N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h5,11H,3-4,6-9H2,1-2H3
InChIKeyVVONCEKAGOXBJP-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.34
Rot. Bonds1

About 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine

1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 66930868) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID66930868
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(C2CCCN2C)C1
InChIInChI=1S/C11H20N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h5,11H,3-4,6-9H2,1-2H3
InChIKeyVVONCEKAGOXBJP-UHFFFAOYSA-N
XLogP1.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
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

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CID 657066
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(8S)-7-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine
CID 10964486
N,N,8-trimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carbothioamide
CID 44305056
1-methyl-4-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
CID 44376874
1-(Cyclohex-2-en-1-yl)pyrrolidine
CID 13623039
N-Methylnicotin
CID 53446742
1-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine
CID 72951919
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CID 129720318
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
CID 138552900
(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
CID 144607829

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine (CID 66930868) is 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine is CN1CCC=C(C2CCCN2C)C1.
What is the InChIKey of 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is VVONCEKAGOXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h5,11H,3-4,6-9H2,1-2H3.
What are the key properties of 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 180.29 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 1-methyl-5-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 66930868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).