1-iodo-2-methylaziridine

C3H6IN — CID 139722499

IUPAC1-iodo-2-methylaziridine
SMILESCC1CN1I
InChIInChI=1S/C3H6IN/c1-3-2-5(3)4/h3H,2H2,1H3
InChIKeyKHWUATRCPWKSMW-UHFFFAOYSA-N
MW182.99 g/mol
LogP1.04
Rot. Bonds

About 1-iodo-2-methylaziridine

1-iodo-2-methylaziridine (PubChem CID 139722499) has the molecular formula C3H6IN and a molecular weight of 182.99 g/mol. Its IUPAC name is 1-iodo-2-methylaziridine.

Molecular Properties

Compound Name1-iodo-2-methylaziridine
PubChem CID139722499
Molecular FormulaC3H6IN
Molecular Weight182.99 g/mol
Exact Mass182.95
IUPAC Name1-iodo-2-methylaziridine
SMILESCC1CN1I
InChIInChI=1S/C3H6IN/c1-3-2-5(3)4/h3H,2H2,1H3
InChIKeyKHWUATRCPWKSMW-UHFFFAOYSA-N
XLogP1.04
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.99
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-iodo-2-methylaziridine 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

(2S)-1-iodo-2,4-dimethylpiperazine
CID 139406604
(2R)-1-iodo-2,4-dimethylpiperazine
CID 130224355
(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine
CID 160927554
1-iodo-2,5-dimethylpyrrolidine
CID 121369942
1-(4-iodo-2,5-dimethylpiperazin-1-yl)prop-2-en-1-one
CID 167185838
(2S)-1-bromo-2-methylaziridine
CID 134926712
(2R)-2-methyl-1-oxidoaziridine
CID 101244990
(2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine
CID 170290356
(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine
CID 129411829
(2,5-dimethyl-4-silylpiperazin-1-yl)silane
CID 123216940
1-iodo-2-methylpiperazine
CID 154534640
1,4-diiodo-2-methylpiperidine
CID 170289869

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methylaziridine?
The IUPAC name of 1-iodo-2-methylaziridine (CID 139722499) is 1-iodo-2-methylaziridine.
What is the SMILES notation for 1-iodo-2-methylaziridine?
The canonical SMILES for 1-iodo-2-methylaziridine is CC1CN1I.
What is the InChIKey of 1-iodo-2-methylaziridine?
The InChIKey is KHWUATRCPWKSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6IN/c1-3-2-5(3)4/h3H,2H2,1H3.
What are the key properties of 1-iodo-2-methylaziridine?
1-iodo-2-methylaziridine has a molecular weight of 182.99 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylaziridine is sourced from PubChem (CID 139722499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).