5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine

C8H16N2O2 — CID 123816568

IUPAC5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine
SMILESCCOC1OC1C1CCNN1C
InChIInChI=1S/C8H16N2O2/c1-3-11-8-7(12-8)6-4-5-9-10(6)2/h6-9H,3-5H2,1-2H3
InChIKeyZWAOEIROVSTJDH-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.04
Rot. Bonds3

About 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine

5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine (PubChem CID 123816568) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine.

Molecular Properties

Compound Name5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine
PubChem CID123816568
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine
SMILESCCOC1OC1C1CCNN1C
InChIInChI=1S/C8H16N2O2/c1-3-11-8-7(12-8)6-4-5-9-10(6)2/h6-9H,3-5H2,1-2H3
InChIKeyZWAOEIROVSTJDH-UHFFFAOYSA-N
XLogP-0.04
TPSA37.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2,3-diethoxyoxirane
CID 10701862
(3aR,4S,6R,7aS)-4-ethoxy-1,6-dimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]oxazol-2-one
CID 131848974
3,4-diethoxydioxetane
CID 59986645
(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane
CID 162134537
3-(3-ethoxyoxiran-2-yl)-2-methyl-2,3,5,6,7,7a-hexahydro-1H-indol-5-ol
CID 155152173
(2S)-2-ethoxyazetidine
CID 134536808
3-ethoxy-N-methyloxiran-2-amine
CID 154561397
6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325
(6R,8R,8aS)-6-ethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 176586129
(2S,3S,4R,6R)-4-(dimethylamino)-2-ethoxy-6-methyloxane-3,5-diol
CID 134847409
2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol
CID 86153336
3-ethoxypyrrolidine
CID 21333172

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine?
The IUPAC name of 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine (CID 123816568) is 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine.
What is the SMILES notation for 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine?
The canonical SMILES for 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine is CCOC1OC1C1CCNN1C.
What is the InChIKey of 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine?
The InChIKey is ZWAOEIROVSTJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-11-8-7(12-8)6-4-5-9-10(6)2/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine?
5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine has a molecular weight of 172.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyoxiran-2-yl)-1-methylpyrazolidine is sourced from PubChem (CID 123816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).