2-methyl-1,2,3,9-tetrahydrocarbazol-4-one

C13H13NO — CID 4165022

IUPAC2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCC1CC(=O)c2c([nH]c3ccccc23)C1
InChIInChI=1S/C13H13NO/c1-8-6-11-13(12(15)7-8)9-4-2-3-5-10(9)14-11/h2-5,8,14H,6-7H2,1H3
InChIKeyMNDQLNHLTBCQTK-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.93
Rot. Bonds

About 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one

2-methyl-1,2,3,9-tetrahydrocarbazol-4-one (PubChem CID 4165022) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
PubChem CID4165022
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCC1CC(=O)c2c([nH]c3ccccc23)C1
InChIInChI=1S/C13H13NO/c1-8-6-11-13(12(15)7-8)9-4-2-3-5-10(9)14-11/h2-5,8,14H,6-7H2,1H3
InChIKeyMNDQLNHLTBCQTK-UHFFFAOYSA-N
XLogP2.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dimethyl 2-phenyl-2,9-dihydro-1H-carbazole-3,4-dicarboxylate
CID 15707402
7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione
CID 23318729
5,6-dihydrobenzo[b]carbazol-11-one
CID 123961016
7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid
CID 84630729
7H-benzo[c]carbazole-5,6-dione
CID 11207363
5H-indeno[1,2-b]indol-10-one
CID 2785776
ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate
CID 137276983
3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 158297042
10H-acridin-9-one;ethane
CID 91525380
3,4-dihydrofuro[3,4-b]quinoline-1,9-dione
CID 14867937
8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 130036440
3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one
CID 21234649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The IUPAC name of 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one (CID 4165022) is 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one.
What is the SMILES notation for 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The canonical SMILES for 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one is CC1CC(=O)c2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The InChIKey is MNDQLNHLTBCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-6-11-13(12(15)7-8)9-4-2-3-5-10(9)14-11/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
2-methyl-1,2,3,9-tetrahydrocarbazol-4-one has a molecular weight of 199.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,9-tetrahydrocarbazol-4-one is sourced from PubChem (CID 4165022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).