zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride

C11H15ClN3Zn+ — CID 19787591

IUPACzinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride
SMILESCC1=C(N2CCCC2)C=CC(=[N+]=[N-])C1.[Cl-].[Zn+2]
InChIInChI=1S/C11H15N3.ClH.Zn/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;;/h4-5H,2-3,6-8H2,1H3;1H;/q;;+2/p-1
InChIKeyZLIUGFLEZNAEFV-UHFFFAOYSA-M
MW290.10 g/mol
LogP-1.01
Rot. Bonds1

About zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride

zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride (PubChem CID 19787591) has the molecular formula C11H15ClN3Zn+ and a molecular weight of 290.10 g/mol. Its IUPAC name is zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride.

Molecular Properties

Compound Namezinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride
PubChem CID19787591
Molecular FormulaC11H15ClN3Zn+
Molecular Weight290.10 g/mol
Exact Mass288.02
IUPAC Namezinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride
SMILESCC1=C(N2CCCC2)C=CC(=[N+]=[N-])C1.[Cl-].[Zn+2]
InChIInChI=1S/C11H15N3.ClH.Zn/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;;/h4-5H,2-3,6-8H2,1H3;1H;/q;;+2/p-1
InChIKeyZLIUGFLEZNAEFV-UHFFFAOYSA-M
XLogP-1.01
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine
CID 22723762
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
1,6-diazabicyclo[4.4.1]undecan-11-one
CID 70385964
4-diazocyclohex-2-en-1-one
CID 54099273
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594
1-(3-methyl-1H-inden-2-yl)piperidine
CID 21499137
4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one
CID 141192974
1-(4-methylphenyl)azepan-3-amine
CID 84672656
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578

Frequently Asked Questions

What is the IUPAC name of zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride?
The IUPAC name of zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride (CID 19787591) is zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride.
What is the SMILES notation for zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride?
The canonical SMILES for zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride is CC1=C(N2CCCC2)C=CC(=[N+]=[N-])C1.[Cl-].[Zn+2].
What is the InChIKey of zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride?
The InChIKey is ZLIUGFLEZNAEFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N3.ClH.Zn/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;;/h4-5H,2-3,6-8H2,1H3;1H;/q;;+2/p-1.
What are the key properties of zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride?
zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride has a molecular weight of 290.10 g/mol, XLogP of -1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-(4-diazo-2-methylcyclohexa-1,5-dien-1-yl)pyrrolidine;chloride is sourced from PubChem (CID 19787591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).