3-methoxy-9,9a-dihydro-4aH-carbazole

C13H13NO — CID 58078019

IUPAC3-methoxy-9,9a-dihydro-4aH-carbazole
SMILESCOC1=CC2c3ccccc3NC2C=C1
InChIInChI=1S/C13H13NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,11,13-14H,1H3
InChIKeyYCFJZJULNGAYOH-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.66
Rot. Bonds1

About 3-methoxy-9,9a-dihydro-4aH-carbazole

3-methoxy-9,9a-dihydro-4aH-carbazole (PubChem CID 58078019) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methoxy-9,9a-dihydro-4aH-carbazole.

Molecular Properties

Compound Name3-methoxy-9,9a-dihydro-4aH-carbazole
PubChem CID58078019
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-methoxy-9,9a-dihydro-4aH-carbazole
SMILESCOC1=CC2c3ccccc3NC2C=C1
InChIInChI=1S/C13H13NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,11,13-14H,1H3
InChIKeyYCFJZJULNGAYOH-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9,9a-dihydro-4aH-carbazole?
The IUPAC name of 3-methoxy-9,9a-dihydro-4aH-carbazole (CID 58078019) is 3-methoxy-9,9a-dihydro-4aH-carbazole.
What is the SMILES notation for 3-methoxy-9,9a-dihydro-4aH-carbazole?
The canonical SMILES for 3-methoxy-9,9a-dihydro-4aH-carbazole is COC1=CC2c3ccccc3NC2C=C1.
What is the InChIKey of 3-methoxy-9,9a-dihydro-4aH-carbazole?
The InChIKey is YCFJZJULNGAYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,11,13-14H,1H3.
What are the key properties of 3-methoxy-9,9a-dihydro-4aH-carbazole?
3-methoxy-9,9a-dihydro-4aH-carbazole has a molecular weight of 199.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9,9a-dihydro-4aH-carbazole is sourced from PubChem (CID 58078019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).