3-methyl-6-propan-2-yl-1H-isoindole

C12H15N — CID 170283669

IUPAC3-methyl-6-propan-2-yl-1H-isoindole
SMILESCC1=NCc2cc(C(C)C)ccc21
InChIInChI=1S/C12H15N/c1-8(2)10-4-5-12-9(3)13-7-11(12)6-10/h4-6,8H,7H2,1-3H3
InChIKeyMBUCGHCOZGGLQT-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.13
Rot. Bonds1

About 3-methyl-6-propan-2-yl-1H-isoindole

3-methyl-6-propan-2-yl-1H-isoindole (PubChem CID 170283669) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1H-isoindole.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1H-isoindole
PubChem CID170283669
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-methyl-6-propan-2-yl-1H-isoindole
SMILESCC1=NCc2cc(C(C)C)ccc21
InChIInChI=1S/C12H15N/c1-8(2)10-4-5-12-9(3)13-7-11(12)6-10/h4-6,8H,7H2,1-3H3
InChIKeyMBUCGHCOZGGLQT-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1H-isoindole?
The IUPAC name of 3-methyl-6-propan-2-yl-1H-isoindole (CID 170283669) is 3-methyl-6-propan-2-yl-1H-isoindole.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1H-isoindole?
The canonical SMILES for 3-methyl-6-propan-2-yl-1H-isoindole is CC1=NCc2cc(C(C)C)ccc21.
What is the InChIKey of 3-methyl-6-propan-2-yl-1H-isoindole?
The InChIKey is MBUCGHCOZGGLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8(2)10-4-5-12-9(3)13-7-11(12)6-10/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-1H-isoindole?
3-methyl-6-propan-2-yl-1H-isoindole has a molecular weight of 173.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1H-isoindole is sourced from PubChem (CID 170283669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).