2-(oxiran-2-yl)-1H-indole

C10H9NO — CID 19919203

IUPAC2-(oxiran-2-yl)-1H-indole
SMILESc1ccc2[nH]c(C3CO3)cc2c1
InChIInChI=1S/C10H9NO/c1-2-4-8-7(3-1)5-9(11-8)10-6-12-10/h1-5,10-11H,6H2
InChIKeyGTMKNVIXQQQITP-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.24
Rot. Bonds1

About 2-(oxiran-2-yl)-1H-indole

2-(oxiran-2-yl)-1H-indole (PubChem CID 19919203) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-1H-indole.

Molecular Properties

Compound Name2-(oxiran-2-yl)-1H-indole
PubChem CID19919203
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-(oxiran-2-yl)-1H-indole
SMILESc1ccc2[nH]c(C3CO3)cc2c1
InChIInChI=1S/C10H9NO/c1-2-4-8-7(3-1)5-9(11-8)10-6-12-10/h1-5,10-11H,6H2
InChIKeyGTMKNVIXQQQITP-UHFFFAOYSA-N
XLogP2.24
TPSA28.32 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
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-(oxiran-2-yl)-1H-indole?
The IUPAC name of 2-(oxiran-2-yl)-1H-indole (CID 19919203) is 2-(oxiran-2-yl)-1H-indole.
What is the SMILES notation for 2-(oxiran-2-yl)-1H-indole?
The canonical SMILES for 2-(oxiran-2-yl)-1H-indole is c1ccc2[nH]c(C3CO3)cc2c1.
What is the InChIKey of 2-(oxiran-2-yl)-1H-indole?
The InChIKey is GTMKNVIXQQQITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-8-7(3-1)5-9(11-8)10-6-12-10/h1-5,10-11H,6H2.
What are the key properties of 2-(oxiran-2-yl)-1H-indole?
2-(oxiran-2-yl)-1H-indole has a molecular weight of 159.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-1H-indole is sourced from PubChem (CID 19919203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).