2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one

C10H13NO — CID 22495

IUPAC2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C10H13NO/c1-6-7(2)11-8-4-3-5-9(12)10(6)8/h11H,3-5H2,1-2H3
InChIKeyUORPHFZBCZEBJV-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.15
Rot. Bonds

About 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one

2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 22495) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID22495
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C10H13NO/c1-6-7(2)11-8-4-3-5-9(12)10(6)8/h11H,3-5H2,1-2H3
InChIKeyUORPHFZBCZEBJV-UHFFFAOYSA-N
XLogP2.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Molindone
CID 23897
Molindone Hydrochloride
CID 9883259
3-Acetyl-2,4,5-trimethylpyrrole
CID 29375
Pyrrole, 2,4-diacetyl-3,5-dimethyl-
CID 200285
1-(2-methyl-1H-indol-3-yl)ethan-1-one
CID 285754
1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 653478
Carbazoquinocin C
CID 10335508
Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-
CID 56251
3-Ethyl-2-methyl-5-(2-morpholin-4-ylethyl)-1,5,6,7-tetrahydroindol-4-one
CID 10085633
(4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one;hydrochloride
CID 15572931
1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
CID 15162
3-methyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 4357380

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one (CID 22495) is 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one is Cc1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is UORPHFZBCZEBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-7(2)11-8-4-3-5-9(12)10(6)8/h11H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one?
2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 163.22 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 22495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).