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

C17H17NO2 — CID 72711828

IUPAC3-[3-(oxiran-2-yl)propoxy]-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1ccc(OCCCC3CO3)cc12
InChIInChI=1S/C17H17NO2/c1-2-6-16-14(5-1)15-10-12(7-8-17(15)18-16)19-9-3-4-13-11-20-13/h1-2,5-8,10,13,18H,3-4,9,11H2
InChIKeyHYEKGKZWIUZADP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.88
Rot. Bonds5

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

3-[3-(oxiran-2-yl)propoxy]-9H-carbazole (PubChem CID 72711828) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole.

Molecular Properties

Compound Name3-[3-(oxiran-2-yl)propoxy]-9H-carbazole
PubChem CID72711828
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-[3-(oxiran-2-yl)propoxy]-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1ccc(OCCCC3CO3)cc12
InChIInChI=1S/C17H17NO2/c1-2-6-16-14(5-1)15-10-12(7-8-17(15)18-16)19-9-3-4-13-11-20-13/h1-2,5-8,10,13,18H,3-4,9,11H2
InChIKeyHYEKGKZWIUZADP-UHFFFAOYSA-N
XLogP3.88
TPSA37.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole?
The IUPAC name of 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole (CID 72711828) is 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole.
What is the SMILES notation for 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole?
The canonical SMILES for 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole is c1ccc2c(c1)[nH]c1ccc(OCCCC3CO3)cc12.
What is the InChIKey of 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole?
The InChIKey is HYEKGKZWIUZADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-6-16-14(5-1)15-10-12(7-8-17(15)18-16)19-9-3-4-13-11-20-13/h1-2,5-8,10,13,18H,3-4,9,11H2.
What are the key properties of 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole?
3-[3-(oxiran-2-yl)propoxy]-9H-carbazole has a molecular weight of 267.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxiran-2-yl)propoxy]-9H-carbazole is sourced from PubChem (CID 72711828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).