4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one

C12H15NO — CID 21365387

IUPAC4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one
SMILESCc1c(C)c(C)c2c(c1C)CNC2=O
InChIInChI=1S/C12H15NO/c1-6-7(2)9(4)11-10(8(6)3)5-13-12(11)14/h5H2,1-4H3,(H,13,14)
InChIKeyBHCPCKUGFKEAEN-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.16
Rot. Bonds

About 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one

4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one (PubChem CID 21365387) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one
PubChem CID21365387
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one
SMILESCc1c(C)c(C)c2c(c1C)CNC2=O
InChIInChI=1S/C12H15NO/c1-6-7(2)9(4)11-10(8(6)3)5-13-12(11)14/h5H2,1-4H3,(H,13,14)
InChIKeyBHCPCKUGFKEAEN-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one (CID 21365387) is 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one is Cc1c(C)c(C)c2c(c1C)CNC2=O.
What is the InChIKey of 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one?
The InChIKey is BHCPCKUGFKEAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-6-7(2)9(4)11-10(8(6)3)5-13-12(11)14/h5H2,1-4H3,(H,13,14).
What are the key properties of 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one?
4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 21365387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).