copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide

C11H14CuN3 — CID 21152440

IUPACcopper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
SMILESCN1CCC[C@H]1c1cccnc1.[C-]#N.[Cu+]
InChIInChI=1S/C10H14N2.CN.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2;/h2,4,6,8,10H,3,5,7H2,1H3;;/q;-1;+1/t10-;;/m0../s1
InChIKeyFBSAWNZJKFXVPF-XRIOVQLTSA-N
MW251.80 g/mol
LogP1.94
Rot. Bonds1

About copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide

copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide (PubChem CID 21152440) has the molecular formula C11H14CuN3 and a molecular weight of 251.80 g/mol. Its IUPAC name is copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide.

Molecular Properties

Compound Namecopper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
PubChem CID21152440
Molecular FormulaC11H14CuN3
Molecular Weight251.80 g/mol
Exact Mass251.05
IUPAC Namecopper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
SMILESCN1CCC[C@H]1c1cccnc1.[C-]#N.[Cu+]
InChIInChI=1S/C10H14N2.CN.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2;/h2,4,6,8,10H,3,5,7H2,1H3;;/q;-1;+1/t10-;;/m0../s1
InChIKeyFBSAWNZJKFXVPF-XRIOVQLTSA-N
XLogP1.94
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
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
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
furan;3-(1-methylpyrrolidin-2-yl)pyridine
CID 159944485
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide?
The IUPAC name of copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide (CID 21152440) is copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide.
What is the SMILES notation for copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide?
The canonical SMILES for copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide is CN1CCC[C@H]1c1cccnc1.[C-]#N.[Cu+].
What is the InChIKey of copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide?
The InChIKey is FBSAWNZJKFXVPF-XRIOVQLTSA-N. The full InChI is InChI=1S/C10H14N2.CN.Cu/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2;/h2,4,6,8,10H,3,5,7H2,1H3;;/q;-1;+1/t10-;;/m0../s1.
What are the key properties of copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide?
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide has a molecular weight of 251.80 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide is sourced from PubChem (CID 21152440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).