zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)

C10H14N2OZn — CID 157051312

IUPACzinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
SMILESCN1CCCC1c1cccnc1.[O-2].[Zn+2]
InChIInChI=1S/C10H14N2.O.Zn/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;;/h2,4,6,8,10H,3,5,7H2,1H3;;/q;-2;+2
InChIKeyAAFWNJSLLASJKB-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.73
Rot. Bonds1

About zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)

zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-) (PubChem CID 157051312) has the molecular formula C10H14N2OZn and a molecular weight of 243.62 g/mol. Its IUPAC name is zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-).

Molecular Properties

Compound Namezinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
PubChem CID157051312
Molecular FormulaC10H14N2OZn
Molecular Weight243.62 g/mol
Exact Mass242.04
IUPAC Namezinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
SMILESCN1CCCC1c1cccnc1.[O-2].[Zn+2]
InChIInChI=1S/C10H14N2.O.Zn/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;;/h2,4,6,8,10H,3,5,7H2,1H3;;/q;-2;+2
InChIKeyAAFWNJSLLASJKB-UHFFFAOYSA-N
XLogP1.73
TPSA44.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
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3-(1-methylpyrrolidin-2-yl)pyridine;zinc
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N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
CID 21152440
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
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furan;3-(1-methylpyrrolidin-2-yl)pyridine
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3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)?
The IUPAC name of zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-) (CID 157051312) is zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-).
What is the SMILES notation for zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)?
The canonical SMILES for zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-) is CN1CCCC1c1cccnc1.[O-2].[Zn+2].
What is the InChIKey of zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)?
The InChIKey is AAFWNJSLLASJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.O.Zn/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;;/h2,4,6,8,10H,3,5,7H2,1H3;;/q;-2;+2.
What are the key properties of zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)?
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-) has a molecular weight of 243.62 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-) is sourced from PubChem (CID 157051312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).