2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole

C11H12N2O — CID 55263506

IUPAC2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c([C@H]3CN3)cc2c1
InChIInChI=1S/C11H12N2O/c1-14-8-2-3-9-7(4-8)5-10(13-9)11-6-12-11/h2-5,11-13H,6H2,1H3/t11-/m1/s1
InChIKeyRHZXRQMJILANFE-LLVKDONJSA-N
MW188.23 g/mol
LogP1.82
Rot. Bonds2

About 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole

2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole (PubChem CID 55263506) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole
PubChem CID55263506
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c([C@H]3CN3)cc2c1
InChIInChI=1S/C11H12N2O/c1-14-8-2-3-9-7(4-8)5-10(13-9)11-6-12-11/h2-5,11-13H,6H2,1H3/t11-/m1/s1
InChIKeyRHZXRQMJILANFE-LLVKDONJSA-N
XLogP1.82
TPSA46.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole 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

2-cyclobutyl-5-methoxy-1H-indole
CID 84670139
5-methoxy-1H-indole-2-thiol
CID 119094198
2-cyclopropyl-6-methoxy-1H-indole
CID 69186205
2-ethenyl-5-methoxy-1H-indole
CID 11844226
7-methoxy-3-(5-methoxy-1H-indol-2-yl)-3H-2-benzofuran-1-one
CID 67917970
3-amino-6-methoxy-1H-quinolin-2-one
CID 115018057
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284
N-cyclohexyl-4-(5-methoxy-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088262
6-methoxy-3-piperidin-4-yl-1H-quinolin-2-one
CID 58181102
2-[(3R,4S)-4-hydroxy-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154567698

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole?
The IUPAC name of 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole (CID 55263506) is 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole.
What is the SMILES notation for 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole?
The canonical SMILES for 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole is COc1ccc2[nH]c([C@H]3CN3)cc2c1.
What is the InChIKey of 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole?
The InChIKey is RHZXRQMJILANFE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2O/c1-14-8-2-3-9-7(4-8)5-10(13-9)11-6-12-11/h2-5,11-13H,6H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole?
2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole has a molecular weight of 188.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole is sourced from PubChem (CID 55263506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).