3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole

C18H17NO — CID 24871104

IUPAC3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole
SMILESCC1=CC2C(=Nc3ccccc32)C2=C1OC(C)(C)C=C2
InChIInChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,14H,1-3H3
InChIKeyKAYHCBMGTLYNLI-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.44
Rot. Bonds

About 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole

3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole (PubChem CID 24871104) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole
PubChem CID24871104
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole
SMILESCC1=CC2C(=Nc3ccccc32)C2=C1OC(C)(C)C=C2
InChIInChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,14H,1-3H3
InChIKeyKAYHCBMGTLYNLI-UHFFFAOYSA-N
XLogP4.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole?
The IUPAC name of 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole (CID 24871104) is 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole.
What is the SMILES notation for 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole?
The canonical SMILES for 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole is CC1=CC2C(=Nc3ccccc32)C2=C1OC(C)(C)C=C2.
What is the InChIKey of 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole?
The InChIKey is KAYHCBMGTLYNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,14H,1-3H3.
What are the key properties of 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole?
3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole has a molecular weight of 263.34 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole is sourced from PubChem (CID 24871104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).