1-(1-methoxyethyl)aziridine

C5H11NO — CID 87933654

IUPAC1-(1-methoxyethyl)aziridine
SMILESCOC(C)N1CC1
InChIInChI=1S/C5H11NO/c1-5(7-2)6-3-4-6/h5H,3-4H2,1-2H3
InChIKeyIKWYNWREOBIQKZ-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.29
Rot. Bonds2

About 1-(1-methoxyethyl)aziridine

1-(1-methoxyethyl)aziridine (PubChem CID 87933654) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-(1-methoxyethyl)aziridine.

Molecular Properties

Compound Name1-(1-methoxyethyl)aziridine
PubChem CID87933654
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name1-(1-methoxyethyl)aziridine
SMILESCOC(C)N1CC1
InChIInChI=1S/C5H11NO/c1-5(7-2)6-3-4-6/h5H,3-4H2,1-2H3
InChIKeyIKWYNWREOBIQKZ-UHFFFAOYSA-N
XLogP0.29
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methoxyethyl)aziridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-methoxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 139338104
1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium
CID 69236771
1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine
CID 90935730
2-[1-(1-methoxyethyl)piperidin-4-yl]ethanol
CID 57139820
1-[1-(1-piperidin-1-ylethoxy)ethyl]piperidine
CID 19822700
1-[1-(aziridin-1-yl)ethyl]aziridine
CID 175406803
trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium
CID 21418888
1-[4-(1-arsanylethyl)piperazin-1-yl]ethylarsane
CID 173199975
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
methoxymethane;1-propan-2-ylazepane
CID 178173420
1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
CID 147502598
1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine
CID 68590566

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)aziridine?
The IUPAC name of 1-(1-methoxyethyl)aziridine (CID 87933654) is 1-(1-methoxyethyl)aziridine.
What is the SMILES notation for 1-(1-methoxyethyl)aziridine?
The canonical SMILES for 1-(1-methoxyethyl)aziridine is COC(C)N1CC1.
What is the InChIKey of 1-(1-methoxyethyl)aziridine?
The InChIKey is IKWYNWREOBIQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(7-2)6-3-4-6/h5H,3-4H2,1-2H3.
What are the key properties of 1-(1-methoxyethyl)aziridine?
1-(1-methoxyethyl)aziridine has a molecular weight of 101.15 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)aziridine is sourced from PubChem (CID 87933654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).