2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

C14H19NO3 — CID 22755555

IUPAC2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(CN(C)C)C2
InChIInChI=1S/C14H19NO3/c1-15(2)8-10-5-9-6-12(17-3)13(18-4)7-11(9)14(10)16/h6-7,10H,5,8H2,1-4H3
InChIKeyRBXKTPLEACZECY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds4

About 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one (PubChem CID 22755555) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
PubChem CID22755555
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(CN(C)C)C2
InChIInChI=1S/C14H19NO3/c1-15(2)8-10-5-9-6-12(17-3)13(18-4)7-11(9)14(10)16/h6-7,10H,5,8H2,1-4H3
InChIKeyRBXKTPLEACZECY-UHFFFAOYSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(7R)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N,N-dimethylmethanamine
CID 175747114
2-[(E)-but-2-enyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 19036380
3-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 14128308
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
2-[(4-fluoropiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 118339063
2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
2-[(dimethylamino)methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 110182452
(2S)-5,6-dimethoxy-2-(pyridin-3-ylmethyl)-2,3-dihydroinden-1-one
CID 95561603
5-tert-butyl-2-ethyl-6-methoxy-2,3-dihydroinden-1-one
CID 170070080
(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium
CID 4518460
6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 149158752
6-tert-butyl-5-methoxy-2-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 67982622

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one (CID 22755555) is 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one is COc1cc2c(cc1OC)C(=O)C(CN(C)C)C2.
What is the InChIKey of 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one?
The InChIKey is RBXKTPLEACZECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(2)8-10-5-9-6-12(17-3)13(18-4)7-11(9)14(10)16/h6-7,10H,5,8H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one?
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 22755555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).