1,2,3,3-tetramethyl-1H-isoindole

C12H17N — CID 18354735

IUPAC1,2,3,3-tetramethyl-1H-isoindole
SMILESCC1c2ccccc2C(C)(C)N1C
InChIInChI=1S/C12H17N/c1-9-10-7-5-6-8-11(10)12(2,3)13(9)4/h5-9H,1-4H3
InChIKeyGYLWEPOXKWBYMS-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.93
Rot. Bonds

About 1,2,3,3-tetramethyl-1H-isoindole

1,2,3,3-tetramethyl-1H-isoindole (PubChem CID 18354735) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1,2,3,3-tetramethyl-1H-isoindole.

Molecular Properties

Compound Name1,2,3,3-tetramethyl-1H-isoindole
PubChem CID18354735
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1,2,3,3-tetramethyl-1H-isoindole
SMILESCC1c2ccccc2C(C)(C)N1C
InChIInChI=1S/C12H17N/c1-9-10-7-5-6-8-11(10)12(2,3)13(9)4/h5-9H,1-4H3
InChIKeyGYLWEPOXKWBYMS-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethyl-1H-isoindole?
The IUPAC name of 1,2,3,3-tetramethyl-1H-isoindole (CID 18354735) is 1,2,3,3-tetramethyl-1H-isoindole.
What is the SMILES notation for 1,2,3,3-tetramethyl-1H-isoindole?
The canonical SMILES for 1,2,3,3-tetramethyl-1H-isoindole is CC1c2ccccc2C(C)(C)N1C.
What is the InChIKey of 1,2,3,3-tetramethyl-1H-isoindole?
The InChIKey is GYLWEPOXKWBYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-10-7-5-6-8-11(10)12(2,3)13(9)4/h5-9H,1-4H3.
What are the key properties of 1,2,3,3-tetramethyl-1H-isoindole?
1,2,3,3-tetramethyl-1H-isoindole has a molecular weight of 175.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethyl-1H-isoindole is sourced from PubChem (CID 18354735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).