3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol

C18H17NO2 — CID 10085008

IUPAC3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
SMILESCc1cc2c([nH]c3cc(O)ccc32)c2c1OC(C)(C)C=C2
InChIInChI=1S/C18H17NO2/c1-10-8-14-12-5-4-11(20)9-15(12)19-16(14)13-6-7-18(2,3)21-17(10)13/h4-9,19-20H,1-3H3
InChIKeyRIEXGJSQJLHVLX-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.52
Rot. Bonds

About 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol

3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol (PubChem CID 10085008) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
PubChem CID10085008
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
SMILESCc1cc2c([nH]c3cc(O)ccc32)c2c1OC(C)(C)C=C2
InChIInChI=1S/C18H17NO2/c1-10-8-14-12-5-4-11(20)9-15(12)19-16(14)13-6-7-18(2,3)21-17(10)13/h4-9,19-20H,1-3H3
InChIKeyRIEXGJSQJLHVLX-UHFFFAOYSA-N
XLogP4.52
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol?
The IUPAC name of 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol (CID 10085008) is 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol.
What is the SMILES notation for 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol?
The canonical SMILES for 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol is Cc1cc2c([nH]c3cc(O)ccc32)c2c1OC(C)(C)C=C2.
What is the InChIKey of 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol?
The InChIKey is RIEXGJSQJLHVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-10-8-14-12-5-4-11(20)9-15(12)19-16(14)13-6-7-18(2,3)21-17(10)13/h4-9,19-20H,1-3H3.
What are the key properties of 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol?
3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol has a molecular weight of 279.34 g/mol, XLogP of 4.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol is sourced from PubChem (CID 10085008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).