4,5-dimethyl-2,3-dihydroisoindol-1-one

C10H11NO — CID 57076044

IUPAC4,5-dimethyl-2,3-dihydroisoindol-1-one
SMILESCc1ccc2c(c1C)CNC2=O
InChIInChI=1S/C10H11NO/c1-6-3-4-8-9(7(6)2)5-11-10(8)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyJBOZOPBYMSDYAL-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.55
Rot. Bonds

About 4,5-dimethyl-2,3-dihydroisoindol-1-one

4,5-dimethyl-2,3-dihydroisoindol-1-one (PubChem CID 57076044) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydroisoindol-1-one
PubChem CID57076044
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4,5-dimethyl-2,3-dihydroisoindol-1-one
SMILESCc1ccc2c(c1C)CNC2=O
InChIInChI=1S/C10H11NO/c1-6-3-4-8-9(7(6)2)5-11-10(8)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyJBOZOPBYMSDYAL-UHFFFAOYSA-N
XLogP1.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylphenyl)-2,3-dihydroisoindol-1-one
CID 172876033
4-[(3-chloro-2-hydroxypropyl)amino]-5-methyl-2,3-dihydroisoindol-1-one
CID 168639767
1,2,7,8-tetramethyl-9H-fluorene
CID 23545247
4-(1-aminoethyl)-2,3-dihydroisoindol-1-one
CID 84717756
ethane;4-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one
CID 145358935
4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064723
3-methyl-4,5-dihydrothieno[3,4-c]pyrrol-6-one
CID 142387876
4-methoxy-7-methyl-2,3-dihydroisoindol-1-one
CID 130064642
4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 130116159
4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 82597832
4-methoxy-5-nitro-2,3-dihydroisoindol-1-one
CID 150023508
3,12,23,32-tetrazanonacyclo[32.6.6.614,21.05,10.015,20.025,30.035,40.041,46.047,52]dopentaconta-1(40),5,7,9,14(52),15,17,19,21(47),25,27,29,34,36,38,41,43,45,48,50-icosaene-4,11,24,31-tetrone
CID 102364029

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 4,5-dimethyl-2,3-dihydroisoindol-1-one (CID 57076044) is 4,5-dimethyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4,5-dimethyl-2,3-dihydroisoindol-1-one is Cc1ccc2c(c1C)CNC2=O.
What is the InChIKey of 4,5-dimethyl-2,3-dihydroisoindol-1-one?
The InChIKey is JBOZOPBYMSDYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-3-4-8-9(7(6)2)5-11-10(8)12/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 4,5-dimethyl-2,3-dihydroisoindol-1-one?
4,5-dimethyl-2,3-dihydroisoindol-1-one has a molecular weight of 161.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 57076044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).