4-methyl-7-(methylamino)-2,3-dihydroinden-1-one

C11H13NO — CID 158486527

IUPAC4-methyl-7-(methylamino)-2,3-dihydroinden-1-one
SMILESCNc1ccc(C)c2c1C(=O)CC2
InChIInChI=1S/C11H13NO/c1-7-3-5-9(12-2)11-8(7)4-6-10(11)13/h3,5,12H,4,6H2,1-2H3
InChIKeyDMQQRFFZWQTVTL-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.17
Rot. Bonds1

About 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one

4-methyl-7-(methylamino)-2,3-dihydroinden-1-one (PubChem CID 158486527) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-methyl-7-(methylamino)-2,3-dihydroinden-1-one
PubChem CID158486527
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-methyl-7-(methylamino)-2,3-dihydroinden-1-one
SMILESCNc1ccc(C)c2c1C(=O)CC2
InChIInChI=1S/C11H13NO/c1-7-3-5-9(12-2)11-8(7)4-6-10(11)13/h3,5,12H,4,6H2,1-2H3
InChIKeyDMQQRFFZWQTVTL-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Solvent Red 111
CID 6706
2,5,8-Trimethylquinolin-4-ol
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CID 312894
4-Hydroxy-6-methylquinoline
CID 256080
4-Hydroxy-2,6-dimethylquinoline
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2,5-Dimethyl-1,4-dihydroquinolin-4-one
CID 233216
3-acetyl-6-methyl-1H-quinolin-4-one
CID 3243839
2-Methylamino-9-fluorenone
CID 224104
5-Benzyl-quinolin-4-ol
CID 656232
6-Methyl-2,3-dihydroquinolin-4(1H)-one
CID 2834189
1-(2,2,4-Trimethyl-2,10-dihydro-1H-indeno[1,2-g]quinolin-8-yl)-ethanone
CID 15458741
2,2,4-Trimethyl-1,2-dihydroindeno[1,2-g]quinolin-10-one
CID 23433462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one?
The IUPAC name of 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one (CID 158486527) is 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one is CNc1ccc(C)c2c1C(=O)CC2.
What is the InChIKey of 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one?
The InChIKey is DMQQRFFZWQTVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-3-5-9(12-2)11-8(7)4-6-10(11)13/h3,5,12H,4,6H2,1-2H3.
What are the key properties of 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one?
4-methyl-7-(methylamino)-2,3-dihydroinden-1-one has a molecular weight of 175.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(methylamino)-2,3-dihydroinden-1-one is sourced from PubChem (CID 158486527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).