2-amino-4,6-dimethyl-2,3-dihydroinden-1-one

C11H13NO — CID 83752639

IUPAC2-amino-4,6-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cc(C)c2c(c1)C(=O)C(N)C2
InChIInChI=1S/C11H13NO/c1-6-3-7(2)8-5-10(12)11(13)9(8)4-6/h3-4,10H,5,12H2,1-2H3
InChIKeyTYGSTPZOJQNDGG-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.37
Rot. Bonds

About 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one

2-amino-4,6-dimethyl-2,3-dihydroinden-1-one (PubChem CID 83752639) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-amino-4,6-dimethyl-2,3-dihydroinden-1-one
PubChem CID83752639
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-amino-4,6-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cc(C)c2c(c1)C(=O)C(N)C2
InChIInChI=1S/C11H13NO/c1-6-3-7(2)8-5-10(12)11(13)9(8)4-6/h3-4,10H,5,12H2,1-2H3
InChIKeyTYGSTPZOJQNDGG-UHFFFAOYSA-N
XLogP1.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one (CID 83752639) is 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one is Cc1cc(C)c2c(c1)C(=O)C(N)C2.
What is the InChIKey of 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is TYGSTPZOJQNDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-6-3-7(2)8-5-10(12)11(13)9(8)4-6/h3-4,10H,5,12H2,1-2H3.
What are the key properties of 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one?
2-amino-4,6-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 175.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 83752639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).