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

C15H15NO3 — CID 136755937

IUPAC1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one
SMILESCc1ccc2[nH]c3c(c2c1)C(=O)C(C)(C)C(O)=C3O
InChIInChI=1S/C15H15NO3/c1-7-4-5-9-8(6-7)10-11(16-9)12(17)14(19)15(2,3)13(10)18/h4-6,16-17,19H,1-3H3
InChIKeyKYFBGKUJOYVNNW-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.48
Rot. Bonds

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

1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one (PubChem CID 136755937) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one.

Molecular Properties

Compound Name1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one
PubChem CID136755937
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one
SMILESCc1ccc2[nH]c3c(c2c1)C(=O)C(C)(C)C(O)=C3O
InChIInChI=1S/C15H15NO3/c1-7-4-5-9-8(6-7)10-11(16-9)12(17)14(19)15(2,3)13(10)18/h4-6,16-17,19H,1-3H3
InChIKeyKYFBGKUJOYVNNW-UHFFFAOYSA-N
XLogP3.48
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one?
The IUPAC name of 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one (CID 136755937) is 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one.
What is the SMILES notation for 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one?
The canonical SMILES for 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one is Cc1ccc2[nH]c3c(c2c1)C(=O)C(C)(C)C(O)=C3O.
What is the InChIKey of 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one?
The InChIKey is KYFBGKUJOYVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-7-4-5-9-8(6-7)10-11(16-9)12(17)14(19)15(2,3)13(10)18/h4-6,16-17,19H,1-3H3.
What are the key properties of 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one?
1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one has a molecular weight of 257.29 g/mol, XLogP of 3.48, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one is sourced from PubChem (CID 136755937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).