3-(aziridin-2-yl)-2-methyl-1H-indole

C11H12N2 — CID 82468105

IUPAC3-(aziridin-2-yl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C1CN1
InChIInChI=1S/C11H12N2/c1-7-11(10-6-12-10)8-4-2-3-5-9(8)13-7/h2-5,10,12-13H,6H2,1H3
InChIKeyIVMNHWPJHYRPST-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.12
Rot. Bonds1

About 3-(aziridin-2-yl)-2-methyl-1H-indole

3-(aziridin-2-yl)-2-methyl-1H-indole (PubChem CID 82468105) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(aziridin-2-yl)-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(aziridin-2-yl)-2-methyl-1H-indole
PubChem CID82468105
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3-(aziridin-2-yl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C1CN1
InChIInChI=1S/C11H12N2/c1-7-11(10-6-12-10)8-4-2-3-5-9(8)13-7/h2-5,10,12-13H,6H2,1H3
InChIKeyIVMNHWPJHYRPST-UHFFFAOYSA-N
XLogP2.12
TPSA37.73 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
CID 95441892
3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole
CID 55263618
3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine
CID 82294419
3-(2-methyl-1H-indol-3-yl)piperazin-2-one
CID 82288488
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
CID 134811497
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine
CID 82300706
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82622295

Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-2-yl)-2-methyl-1H-indole?
The IUPAC name of 3-(aziridin-2-yl)-2-methyl-1H-indole (CID 82468105) is 3-(aziridin-2-yl)-2-methyl-1H-indole.
What is the SMILES notation for 3-(aziridin-2-yl)-2-methyl-1H-indole?
The canonical SMILES for 3-(aziridin-2-yl)-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C1CN1.
What is the InChIKey of 3-(aziridin-2-yl)-2-methyl-1H-indole?
The InChIKey is IVMNHWPJHYRPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-11(10-6-12-10)8-4-2-3-5-9(8)13-7/h2-5,10,12-13H,6H2,1H3.
What are the key properties of 3-(aziridin-2-yl)-2-methyl-1H-indole?
3-(aziridin-2-yl)-2-methyl-1H-indole has a molecular weight of 172.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-2-yl)-2-methyl-1H-indole is sourced from PubChem (CID 82468105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).