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

C11H12N2 — CID 55263404

IUPAC2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]c([C@H]3CN3)cc2c1
InChIInChI=1S/C11H12N2/c1-7-2-3-9-8(4-7)5-10(13-9)11-6-12-11/h2-5,11-13H,6H2,1H3/t11-/m1/s1
InChIKeyMXPAEWMRFKJJJJ-LLVKDONJSA-N
MW172.23 g/mol
LogP2.12
Rot. Bonds1

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

2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole (PubChem CID 55263404) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole.

Molecular Properties

Compound Name2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole
PubChem CID55263404
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]c([C@H]3CN3)cc2c1
InChIInChI=1S/C11H12N2/c1-7-2-3-9-8(4-7)5-10(13-9)11-6-12-11/h2-5,11-13H,6H2,1H3/t11-/m1/s1
InChIKeyMXPAEWMRFKJJJJ-LLVKDONJSA-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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole?
The IUPAC name of 2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole (CID 55263404) is 2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole.
What is the SMILES notation for 2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole?
The canonical SMILES for 2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole is Cc1ccc2[nH]c([C@H]3CN3)cc2c1.
What is the InChIKey of 2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole?
The InChIKey is MXPAEWMRFKJJJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-2-3-9-8(4-7)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-methyl-1H-indole?
2-[(2R)-aziridin-2-yl]-5-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 2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole is sourced from PubChem (CID 55263404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).