4-(oxiran-2-ylmethoxy)-9H-carbazole

C15H13NO2 — CID 5020710

IUPAC4-(oxiran-2-ylmethoxy)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1cccc(OCC3CO3)c12
InChIInChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2
InChIKeySVWKIGRDISDRLO-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.10
Rot. Bonds3

About 4-(oxiran-2-ylmethoxy)-9H-carbazole

4-(oxiran-2-ylmethoxy)-9H-carbazole (PubChem CID 5020710) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethoxy)-9H-carbazole.

Molecular Properties

Compound Name4-(oxiran-2-ylmethoxy)-9H-carbazole
PubChem CID5020710
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(oxiran-2-ylmethoxy)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1cccc(OCC3CO3)c12
InChIInChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2
InChIKeySVWKIGRDISDRLO-UHFFFAOYSA-N
XLogP3.10
TPSA37.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.10
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 4-(oxiran-2-ylmethoxy)-9H-carbazole?
The IUPAC name of 4-(oxiran-2-ylmethoxy)-9H-carbazole (CID 5020710) is 4-(oxiran-2-ylmethoxy)-9H-carbazole.
What is the SMILES notation for 4-(oxiran-2-ylmethoxy)-9H-carbazole?
The canonical SMILES for 4-(oxiran-2-ylmethoxy)-9H-carbazole is c1ccc2c(c1)[nH]c1cccc(OCC3CO3)c12.
What is the InChIKey of 4-(oxiran-2-ylmethoxy)-9H-carbazole?
The InChIKey is SVWKIGRDISDRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2.
What are the key properties of 4-(oxiran-2-ylmethoxy)-9H-carbazole?
4-(oxiran-2-ylmethoxy)-9H-carbazole has a molecular weight of 239.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethoxy)-9H-carbazole is sourced from PubChem (CID 5020710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).