3-(2-iminoethyl)-2-methyloxiran-2-ol

C5H9NO2 — CID 123991454

IUPAC3-(2-iminoethyl)-2-methyloxiran-2-ol
SMILES[H]/N=C/CC1OC1(C)O
InChIInChI=1S/C5H9NO2/c1-5(7)4(8-5)2-3-6/h3-4,6-7H,2H2,1H3/b6-3+
InChIKeyRBOAWJLDGWQGNH-ZZXKWVIFSA-N
MW115.13 g/mol
LogP0.13
Rot. Bonds2

About 3-(2-iminoethyl)-2-methyloxiran-2-ol

3-(2-iminoethyl)-2-methyloxiran-2-ol (PubChem CID 123991454) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-(2-iminoethyl)-2-methyloxiran-2-ol.

Molecular Properties

Compound Name3-(2-iminoethyl)-2-methyloxiran-2-ol
PubChem CID123991454
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-(2-iminoethyl)-2-methyloxiran-2-ol
SMILES[H]/N=C/CC1OC1(C)O
InChIInChI=1S/C5H9NO2/c1-5(7)4(8-5)2-3-6/h3-4,6-7H,2H2,1H3/b6-3+
InChIKeyRBOAWJLDGWQGNH-ZZXKWVIFSA-N
XLogP0.13
TPSA56.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-iminoethyl)-5-methyloxolan-2-yl]propan-2-ol
CID 123772193
2-cyclobutylethanimine
CID 123915190
2-trimethylsilylethanimine
CID 59906390
propane-1,3-diimine
CID 18934492
propane;propan-1-imine
CID 175287004
4-iminobutan-2-one
CID 20812331
N-ethenyl-2-iminoethanamine
CID 143034451
2-(4-methylcyclooctyl)ethanimine
CID 155110970
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
(2S)-1-[(2S)-3,3-dimethyloxiran-2-yl]propan-2-ol
CID 102348877
3-[(E)-but-2-enyl]-2,2-dimethyloxirane
CID 18345585
(1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 129164149

Frequently Asked Questions

What is the IUPAC name of 3-(2-iminoethyl)-2-methyloxiran-2-ol?
The IUPAC name of 3-(2-iminoethyl)-2-methyloxiran-2-ol (CID 123991454) is 3-(2-iminoethyl)-2-methyloxiran-2-ol.
What is the SMILES notation for 3-(2-iminoethyl)-2-methyloxiran-2-ol?
The canonical SMILES for 3-(2-iminoethyl)-2-methyloxiran-2-ol is [H]/N=C/CC1OC1(C)O.
What is the InChIKey of 3-(2-iminoethyl)-2-methyloxiran-2-ol?
The InChIKey is RBOAWJLDGWQGNH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(7)4(8-5)2-3-6/h3-4,6-7H,2H2,1H3/b6-3+.
What are the key properties of 3-(2-iminoethyl)-2-methyloxiran-2-ol?
3-(2-iminoethyl)-2-methyloxiran-2-ol has a molecular weight of 115.13 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iminoethyl)-2-methyloxiran-2-ol is sourced from PubChem (CID 123991454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).