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

C10H11NO — CID 56636550

IUPAC3,4-dimethyl-2,3-dihydroisoindol-1-one
SMILESCc1cccc2c1C(C)NC2=O
InChIInChI=1S/C10H11NO/c1-6-4-3-5-8-9(6)7(2)11-10(8)12/h3-5,7H,1-2H3,(H,11,12)
InChIKeyRVCINIJMSIKPCV-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.80
Rot. Bonds

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

3,4-dimethyl-2,3-dihydroisoindol-1-one (PubChem CID 56636550) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3,4-dimethyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3,4-dimethyl-2,3-dihydroisoindol-1-one
PubChem CID56636550
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3,4-dimethyl-2,3-dihydroisoindol-1-one
SMILESCc1cccc2c1C(C)NC2=O
InChIInChI=1S/C10H11NO/c1-6-4-3-5-8-9(6)7(2)11-10(8)12/h3-5,7H,1-2H3,(H,11,12)
InChIKeyRVCINIJMSIKPCV-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-iodo-4-methyl-2,3-dihydroisoindol-1-one
CID 143900412
2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one
CID 54239079
3,4-difluoro-2,3-dihydroisoindol-1-one
CID 23221400
1,8-dimethyl-9H-fluorene-9-carbaldehyde
CID 174591685
7-fluoro-3-methyl-2,3-dihydroisoindol-1-one
CID 84731555
1,9-dimethyl-9H-fluorene
CID 28227
2-[(3R)-3-methyl-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid
CID 91594643
(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 131142499
4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one
CID 84734053
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
11-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one
CID 11615565

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 3,4-dimethyl-2,3-dihydroisoindol-1-one (CID 56636550) is 3,4-dimethyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3,4-dimethyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3,4-dimethyl-2,3-dihydroisoindol-1-one is Cc1cccc2c1C(C)NC2=O.
What is the InChIKey of 3,4-dimethyl-2,3-dihydroisoindol-1-one?
The InChIKey is RVCINIJMSIKPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-4-3-5-8-9(6)7(2)11-10(8)12/h3-5,7H,1-2H3,(H,11,12).
What are the key properties of 3,4-dimethyl-2,3-dihydroisoindol-1-one?
3,4-dimethyl-2,3-dihydroisoindol-1-one has a molecular weight of 161.20 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 56636550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).