3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one

C16H16N2O2 — CID 70783381

IUPAC3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2Cc3ccccc3C2)c(=O)[nH]c1C
InChIInChI=1S/C16H16N2O2/c1-10-7-14(15(19)17-11(10)2)16(20)18-8-12-5-3-4-6-13(12)9-18/h3-7H,8-9H2,1-2H3,(H,17,19)
InChIKeyDBUDEUFSMQQENY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.15
Rot. Bonds1

About 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one

3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 70783381) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one
PubChem CID70783381
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2Cc3ccccc3C2)c(=O)[nH]c1C
InChIInChI=1S/C16H16N2O2/c1-10-7-14(15(19)17-11(10)2)16(20)18-8-12-5-3-4-6-13(12)9-18/h3-7H,8-9H2,1-2H3,(H,17,19)
InChIKeyDBUDEUFSMQQENY-UHFFFAOYSA-N
XLogP2.15
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one (CID 70783381) is 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one is Cc1cc(C(=O)N2Cc3ccccc3C2)c(=O)[nH]c1C.
What is the InChIKey of 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is DBUDEUFSMQQENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-7-14(15(19)17-11(10)2)16(20)18-8-12-5-3-4-6-13(12)9-18/h3-7H,8-9H2,1-2H3,(H,17,19).
What are the key properties of 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one?
3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindole-2-carbonyl)-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 70783381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).