3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole

C16H15NO2 — CID 72711827

IUPAC3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1ccc(OCCC3CO3)cc12
InChIInChI=1S/C16H15NO2/c1-2-4-15-13(3-1)14-9-11(5-6-16(14)17-15)18-8-7-12-10-19-12/h1-6,9,12,17H,7-8,10H2
InChIKeyMESBPWAHJLVCAO-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.49
Rot. Bonds4

About 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole

3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole (PubChem CID 72711827) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole.

Molecular Properties

Compound Name3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole
PubChem CID72711827
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1ccc(OCCC3CO3)cc12
InChIInChI=1S/C16H15NO2/c1-2-4-15-13(3-1)14-9-11(5-6-16(14)17-15)18-8-7-12-10-19-12/h1-6,9,12,17H,7-8,10H2
InChIKeyMESBPWAHJLVCAO-UHFFFAOYSA-N
XLogP3.49
TPSA37.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole?
The IUPAC name of 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole (CID 72711827) is 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole.
What is the SMILES notation for 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole?
The canonical SMILES for 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole is c1ccc2c(c1)[nH]c1ccc(OCCC3CO3)cc12.
What is the InChIKey of 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole?
The InChIKey is MESBPWAHJLVCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-4-15-13(3-1)14-9-11(5-6-16(14)17-15)18-8-7-12-10-19-12/h1-6,9,12,17H,7-8,10H2.
What are the key properties of 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole?
3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole has a molecular weight of 253.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole is sourced from PubChem (CID 72711827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).