8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one

C14H15NO — CID 84739991

IUPAC8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one
SMILESCc1cccc2c3c(n(C)c12)CCCC3=O
InChIInChI=1S/C14H15NO/c1-9-5-3-6-10-13-11(15(2)14(9)10)7-4-8-12(13)16/h3,5-6H,4,7-8H2,1-2H3
InChIKeyUIJMHKYHMUUWOF-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.01
Rot. Bonds

About 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one

8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one (PubChem CID 84739991) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one
PubChem CID84739991
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one
SMILESCc1cccc2c3c(n(C)c12)CCCC3=O
InChIInChI=1S/C14H15NO/c1-9-5-3-6-10-13-11(15(2)14(9)10)7-4-8-12(13)16/h3,5-6H,4,7-8H2,1-2H3
InChIKeyUIJMHKYHMUUWOF-UHFFFAOYSA-N
XLogP3.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one (CID 84739991) is 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one is Cc1cccc2c3c(n(C)c12)CCCC3=O.
What is the InChIKey of 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is UIJMHKYHMUUWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-5-3-6-10-13-11(15(2)14(9)10)7-4-8-12(13)16/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one?
8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 213.28 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 84739991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).