bis(1-ethenylpyrrolidine);hydrogen peroxide

C12H24N2O2 — CID 90220929

IUPACbis(1-ethenylpyrrolidine);hydrogen peroxide
SMILESC=CN1CCCC1.C=CN1CCCC1.OO
InChIInChI=1S/2C6H11N.H2O2/c2*1-2-7-5-3-4-6-7;1-2/h2*2H,1,3-6H2;1-2H
InChIKeyXTGQTWQSNDKCPM-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.47
Rot. Bonds2

About bis(1-ethenylpyrrolidine);hydrogen peroxide

bis(1-ethenylpyrrolidine);hydrogen peroxide (PubChem CID 90220929) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is bis(1-ethenylpyrrolidine);hydrogen peroxide.

Molecular Properties

Compound Namebis(1-ethenylpyrrolidine);hydrogen peroxide
PubChem CID90220929
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namebis(1-ethenylpyrrolidine);hydrogen peroxide
SMILESC=CN1CCCC1.C=CN1CCCC1.OO
InChIInChI=1S/2C6H11N.H2O2/c2*1-2-7-5-3-4-6-7;1-2/h2*2H,1,3-6H2;1-2H
InChIKeyXTGQTWQSNDKCPM-UHFFFAOYSA-N
XLogP2.47
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

benzene;1-ethenylazonane
CID 175300196
1-ethenylpiperidine;hydrazine
CID 159894800
1-ethenylpyrrolidine;trichlorogold
CID 174958252
1-ethenylpyrrolidine;pyrrolidin-2-one
CID 174946746
4-ethenyl-1,4-thiazinane 1-oxide
CID 171832065
1-ethenylpiperidin-3-ol
CID 143186522
1-ethenyl-4-oxidopiperazine
CID 87801359
1-ethenyl-1,3-diazinane
CID 54013702
(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
CID 45085255
piperidine-1-carbaldehyde;prop-1-ene
CID 145368604
(E)-3-piperidin-1-ylprop-2-enoic acid
CID 21292232
piperidine-1-carboxylic acid;styrene
CID 174300067

Frequently Asked Questions

What is the IUPAC name of bis(1-ethenylpyrrolidine);hydrogen peroxide?
The IUPAC name of bis(1-ethenylpyrrolidine);hydrogen peroxide (CID 90220929) is bis(1-ethenylpyrrolidine);hydrogen peroxide.
What is the SMILES notation for bis(1-ethenylpyrrolidine);hydrogen peroxide?
The canonical SMILES for bis(1-ethenylpyrrolidine);hydrogen peroxide is C=CN1CCCC1.C=CN1CCCC1.OO.
What is the InChIKey of bis(1-ethenylpyrrolidine);hydrogen peroxide?
The InChIKey is XTGQTWQSNDKCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11N.H2O2/c2*1-2-7-5-3-4-6-7;1-2/h2*2H,1,3-6H2;1-2H.
What are the key properties of bis(1-ethenylpyrrolidine);hydrogen peroxide?
bis(1-ethenylpyrrolidine);hydrogen peroxide has a molecular weight of 228.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethenylpyrrolidine);hydrogen peroxide is sourced from PubChem (CID 90220929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).