(3R)-3-methyl-2,3-dihydroisoindol-1-one

C9H9NO — CID 10582918

IUPAC(3R)-3-methyl-2,3-dihydroisoindol-1-one
SMILESC[C@H]1NC(=O)c2ccccc21
InChIInChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-6H,1H3,(H,10,11)/t6-/m1/s1
InChIKeyVNPWIDIVQOFLQS-ZCFIWIBFSA-N
MW147.18 g/mol
LogP1.49
Rot. Bonds

About (3R)-3-methyl-2,3-dihydroisoindol-1-one

(3R)-3-methyl-2,3-dihydroisoindol-1-one (PubChem CID 10582918) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is (3R)-3-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-2,3-dihydroisoindol-1-one
PubChem CID10582918
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name(3R)-3-methyl-2,3-dihydroisoindol-1-one
SMILESC[C@H]1NC(=O)c2ccccc21
InChIInChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-6H,1H3,(H,10,11)/t6-/m1/s1
InChIKeyVNPWIDIVQOFLQS-ZCFIWIBFSA-N
XLogP1.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of (3R)-3-methyl-2,3-dihydroisoindol-1-one (CID 10582918) is (3R)-3-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for (3R)-3-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for (3R)-3-methyl-2,3-dihydroisoindol-1-one is C[C@H]1NC(=O)c2ccccc21.
What is the InChIKey of (3R)-3-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is VNPWIDIVQOFLQS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-6H,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (3R)-3-methyl-2,3-dihydroisoindol-1-one?
(3R)-3-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 147.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 10582918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).