9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole

C19H19NO2 — CID 14892681

IUPAC9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)[nH]c1c3c(c(C)cc12)OC(C)(C)C=C3
InChIInChI=1S/C19H19NO2/c1-11-9-15-13-6-5-12(21-4)10-16(13)20-17(15)14-7-8-19(2,3)22-18(11)14/h5-10,20H,1-4H3
InChIKeyGDQWCFKJPYSDDG-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.82
Rot. Bonds1

About 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole

9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole (PubChem CID 14892681) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
PubChem CID14892681
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)[nH]c1c3c(c(C)cc12)OC(C)(C)C=C3
InChIInChI=1S/C19H19NO2/c1-11-9-15-13-6-5-12(21-4)10-16(13)20-17(15)14-7-8-19(2,3)22-18(11)14/h5-10,20H,1-4H3
InChIKeyGDQWCFKJPYSDDG-UHFFFAOYSA-N
XLogP4.82
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole?
The IUPAC name of 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole (CID 14892681) is 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole.
What is the SMILES notation for 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole?
The canonical SMILES for 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole is COc1ccc2c(c1)[nH]c1c3c(c(C)cc12)OC(C)(C)C=C3.
What is the InChIKey of 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole?
The InChIKey is GDQWCFKJPYSDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-11-9-15-13-6-5-12(21-4)10-16(13)20-17(15)14-7-8-19(2,3)22-18(11)14/h5-10,20H,1-4H3.
What are the key properties of 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole?
9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole has a molecular weight of 293.37 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 14892681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).