2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one

C15H14ClNO — CID 169250129

IUPAC2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(-c2cc3c(cc2Cl)CCC3)[nH]1
InChIInChI=1S/C15H14ClNO/c1-9-5-12(18)8-15(17-9)13-6-10-3-2-4-11(10)7-14(13)16/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyWPTXGKMUSYBWDL-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.49
Rot. Bonds1

About 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one

2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one (PubChem CID 169250129) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one
PubChem CID169250129
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(-c2cc3c(cc2Cl)CCC3)[nH]1
InChIInChI=1S/C15H14ClNO/c1-9-5-12(18)8-15(17-9)13-6-10-3-2-4-11(10)7-14(13)16/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyWPTXGKMUSYBWDL-UHFFFAOYSA-N
XLogP3.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one (CID 169250129) is 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc(-c2cc3c(cc2Cl)CCC3)[nH]1.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one?
The InChIKey is WPTXGKMUSYBWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-9-5-12(18)8-15(17-9)13-6-10-3-2-4-11(10)7-14(13)16/h5-8H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one?
2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one has a molecular weight of 259.74 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 169250129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).