3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole

C11H12N2O — CID 55263522

IUPAC3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole
SMILESCOc1ccc2c([C@H]3CN3)c[nH]c2c1
InChIInChI=1S/C11H12N2O/c1-14-7-2-3-8-9(11-6-13-11)5-12-10(8)4-7/h2-5,11-13H,6H2,1H3/t11-/m1/s1
InChIKeyWQVFJYGWICKKEU-LLVKDONJSA-N
MW188.23 g/mol
LogP1.82
Rot. Bonds2

About 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole

3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole (PubChem CID 55263522) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole.

Molecular Properties

Compound Name3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole
PubChem CID55263522
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole
SMILESCOc1ccc2c([C@H]3CN3)c[nH]c2c1
InChIInChI=1S/C11H12N2O/c1-14-7-2-3-8-9(11-6-13-11)5-12-10(8)4-7/h2-5,11-13H,6H2,1H3/t11-/m1/s1
InChIKeyWQVFJYGWICKKEU-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'}

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Related Compounds

3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
CID 171196660
3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240712
5-methoxy-3-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 15254976
6-methoxy-1H-indole-3-carbonitrile
CID 53401197
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
CID 84637869
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
3-(6-methoxy-1H-indol-3-yl)prop-2-enal
CID 71445769
2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole
CID 55263506
6-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941676

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole?
The IUPAC name of 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole (CID 55263522) is 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole.
What is the SMILES notation for 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole?
The canonical SMILES for 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole is COc1ccc2c([C@H]3CN3)c[nH]c2c1.
What is the InChIKey of 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole?
The InChIKey is WQVFJYGWICKKEU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2O/c1-14-7-2-3-8-9(11-6-13-11)5-12-10(8)4-7/h2-5,11-13H,6H2,1H3/t11-/m1/s1.
What are the key properties of 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole?
3-[(2S)-aziridin-2-yl]-6-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 3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole is sourced from PubChem (CID 55263522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).