3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one

C17H13NO2 — CID 71519236

IUPAC3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one
SMILESCc1c(C)c2ccc3c4ccccc4[nH]c3c2oc1=O
InChIInChI=1S/C17H13NO2/c1-9-10(2)17(19)20-16-11(9)7-8-13-12-5-3-4-6-14(12)18-15(13)16/h3-8,18H,1-2H3
InChIKeyGDMGBWZUOZNWTL-UHFFFAOYSA-N
MW263.30 g/mol
LogP4.04
Rot. Bonds

About 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one

3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one (PubChem CID 71519236) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one.

Molecular Properties

Compound Name3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one
PubChem CID71519236
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one
SMILESCc1c(C)c2ccc3c4ccccc4[nH]c3c2oc1=O
InChIInChI=1S/C17H13NO2/c1-9-10(2)17(19)20-16-11(9)7-8-13-12-5-3-4-6-14(12)18-15(13)16/h3-8,18H,1-2H3
InChIKeyGDMGBWZUOZNWTL-UHFFFAOYSA-N
XLogP4.04
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.04
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 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one?
The IUPAC name of 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one (CID 71519236) is 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one.
What is the SMILES notation for 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one?
The canonical SMILES for 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one is Cc1c(C)c2ccc3c4ccccc4[nH]c3c2oc1=O.
What is the InChIKey of 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one?
The InChIKey is GDMGBWZUOZNWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-9-10(2)17(19)20-16-11(9)7-8-13-12-5-3-4-6-14(12)18-15(13)16/h3-8,18H,1-2H3.
What are the key properties of 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one?
3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one has a molecular weight of 263.30 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one is sourced from PubChem (CID 71519236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).