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

C12H15NO — CID 55271459

IUPAC4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc(N(C)C)c2c1C(=O)CC2
InChIInChI=1S/C12H15NO/c1-8-4-6-10(13(2)3)9-5-7-11(14)12(8)9/h4,6H,5,7H2,1-3H3
InChIKeyZNJOGIGWFVFMBT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.19
Rot. Bonds1

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

4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one (PubChem CID 55271459) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one
PubChem CID55271459
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc(N(C)C)c2c1C(=O)CC2
InChIInChI=1S/C12H15NO/c1-8-4-6-10(13(2)3)9-5-7-11(14)12(8)9/h4,6H,5,7H2,1-3H3
InChIKeyZNJOGIGWFVFMBT-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one (CID 55271459) is 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one is Cc1ccc(N(C)C)c2c1C(=O)CC2.
What is the InChIKey of 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one?
The InChIKey is ZNJOGIGWFVFMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-4-6-10(13(2)3)9-5-7-11(14)12(8)9/h4,6H,5,7H2,1-3H3.
What are the key properties of 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one?
4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-7-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 55271459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).