2,3-bis(oxiran-2-ylmethyl)pyrrolidine

C10H17NO2 — CID 175224745

IUPAC2,3-bis(oxiran-2-ylmethyl)pyrrolidine
SMILESC1CC(CC2CO2)C(CC2CO2)N1
InChIInChI=1S/C10H17NO2/c1-2-11-10(4-9-6-13-9)7(1)3-8-5-12-8/h7-11H,1-6H2
InChIKeyIPAUDZHWHHSRSQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.54
Rot. Bonds4

About 2,3-bis(oxiran-2-ylmethyl)pyrrolidine

2,3-bis(oxiran-2-ylmethyl)pyrrolidine (PubChem CID 175224745) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,3-bis(oxiran-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2,3-bis(oxiran-2-ylmethyl)pyrrolidine
PubChem CID175224745
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,3-bis(oxiran-2-ylmethyl)pyrrolidine
SMILESC1CC(CC2CO2)C(CC2CO2)N1
InChIInChI=1S/C10H17NO2/c1-2-11-10(4-9-6-13-9)7(1)3-8-5-12-8/h7-11H,1-6H2
InChIKeyIPAUDZHWHHSRSQ-UHFFFAOYSA-N
XLogP0.54
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-dimethyl-2,3-bis(oxiran-2-ylmethyl)hexane-1,3-diamine
CID 174921359
3-Methyl-2,3-bis(oxiran-2-ylmethyl)piperidine
CID 175332018
N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65331651
1-(oxan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65332426
N-[[2-(oxolan-2-yl)cyclopropyl]methyl]cyclopropanamine
CID 82837137
N-ethyl-1-(2-ethyloxolan-3-yl)-2-(oxan-4-yl)ethanamine
CID 105727280
1-(2-ethyloxolan-3-yl)-5-methoxy-N-propylpentan-1-amine
CID 112754797
N-[1-(5-methyloxolan-3-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 113666437
N-[2-(3-ethoxycyclobutyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113783674
2-(3-ethoxycyclobutyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113783675
N-ethyl-1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846966
N-[1-(2-methyloxolan-3-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115847026

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(oxiran-2-ylmethyl)pyrrolidine?
The IUPAC name of 2,3-bis(oxiran-2-ylmethyl)pyrrolidine (CID 175224745) is 2,3-bis(oxiran-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2,3-bis(oxiran-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2,3-bis(oxiran-2-ylmethyl)pyrrolidine is C1CC(CC2CO2)C(CC2CO2)N1.
What is the InChIKey of 2,3-bis(oxiran-2-ylmethyl)pyrrolidine?
The InChIKey is IPAUDZHWHHSRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-11-10(4-9-6-13-9)7(1)3-8-5-12-8/h7-11H,1-6H2.
What are the key properties of 2,3-bis(oxiran-2-ylmethyl)pyrrolidine?
2,3-bis(oxiran-2-ylmethyl)pyrrolidine has a molecular weight of 183.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(oxiran-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 175224745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).