2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one

C15H17NO — CID 15577770

IUPAC2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
SMILESCc1ccc2[nH]c3c(c2c1)C(=O)CC(C)(C)C3
InChIInChI=1S/C15H17NO/c1-9-4-5-11-10(6-9)14-12(16-11)7-15(2,3)8-13(14)17/h4-6,16H,7-8H2,1-3H3
InChIKeyDYCLSMATXKAHNQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.63
Rot. Bonds

About 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one

2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one (PubChem CID 15577770) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
PubChem CID15577770
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
SMILESCc1ccc2[nH]c3c(c2c1)C(=O)CC(C)(C)C3
InChIInChI=1S/C15H17NO/c1-9-4-5-11-10(6-9)14-12(16-11)7-15(2,3)8-13(14)17/h4-6,16H,7-8H2,1-3H3
InChIKeyDYCLSMATXKAHNQ-UHFFFAOYSA-N
XLogP3.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one?
The IUPAC name of 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one (CID 15577770) is 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one?
The canonical SMILES for 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one is Cc1ccc2[nH]c3c(c2c1)C(=O)CC(C)(C)C3.
What is the InChIKey of 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one?
The InChIKey is DYCLSMATXKAHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-9-4-5-11-10(6-9)14-12(16-11)7-15(2,3)8-13(14)17/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one?
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one has a molecular weight of 227.31 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 15577770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).