11H-pyrano[3,2-a]carbazol-3-one

C15H9NO2 — CID 71770034

IUPAC11H-pyrano[3,2-a]carbazol-3-one
SMILESO=c1ccc2c(ccc3c4ccccc4[nH]c23)o1
InChIInChI=1S/C15H9NO2/c17-14-8-6-11-13(18-14)7-5-10-9-3-1-2-4-12(9)16-15(10)11/h1-8,16H
InChIKeyHXUPQUYVWXTAFE-UHFFFAOYSA-N
MW235.24 g/mol
LogP3.43
Rot. Bonds

About 11H-pyrano[3,2-a]carbazol-3-one

11H-pyrano[3,2-a]carbazol-3-one (PubChem CID 71770034) has the molecular formula C15H9NO2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 11H-pyrano[3,2-a]carbazol-3-one.

Molecular Properties

Compound Name11H-pyrano[3,2-a]carbazol-3-one
PubChem CID71770034
Molecular FormulaC15H9NO2
Molecular Weight235.24 g/mol
Exact Mass235.06
IUPAC Name11H-pyrano[3,2-a]carbazol-3-one
SMILESO=c1ccc2c(ccc3c4ccccc4[nH]c23)o1
InChIInChI=1S/C15H9NO2/c17-14-8-6-11-13(18-14)7-5-10-9-3-1-2-4-12(9)16-15(10)11/h1-8,16H
InChIKeyHXUPQUYVWXTAFE-UHFFFAOYSA-N
XLogP3.43
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11H-pyrano[3,2-a]carbazol-3-one?
The IUPAC name of 11H-pyrano[3,2-a]carbazol-3-one (CID 71770034) is 11H-pyrano[3,2-a]carbazol-3-one.
What is the SMILES notation for 11H-pyrano[3,2-a]carbazol-3-one?
The canonical SMILES for 11H-pyrano[3,2-a]carbazol-3-one is O=c1ccc2c(ccc3c4ccccc4[nH]c23)o1.
What is the InChIKey of 11H-pyrano[3,2-a]carbazol-3-one?
The InChIKey is HXUPQUYVWXTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2/c17-14-8-6-11-13(18-14)7-5-10-9-3-1-2-4-12(9)16-15(10)11/h1-8,16H.
What are the key properties of 11H-pyrano[3,2-a]carbazol-3-one?
11H-pyrano[3,2-a]carbazol-3-one has a molecular weight of 235.24 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-pyrano[3,2-a]carbazol-3-one is sourced from PubChem (CID 71770034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).