2-(2-methylpropyl)isoindole

C12H15N — CID 174668407

IUPAC2-(2-methylpropyl)isoindole
SMILESCC(C)Cn1cc2ccccc2c1
InChIInChI=1S/C12H15N/c1-10(2)7-13-8-11-5-3-4-6-12(11)9-13/h3-6,8-10H,7H2,1-2H3
InChIKeyVIOWDSBKIQZZLV-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.30
Rot. Bonds2

About 2-(2-methylpropyl)isoindole

2-(2-methylpropyl)isoindole (PubChem CID 174668407) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)isoindole.

Molecular Properties

Compound Name2-(2-methylpropyl)isoindole
PubChem CID174668407
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-(2-methylpropyl)isoindole
SMILESCC(C)Cn1cc2ccccc2c1
InChIInChI=1S/C12H15N/c1-10(2)7-13-8-11-5-3-4-6-12(11)9-13/h3-6,8-10H,7H2,1-2H3
InChIKeyVIOWDSBKIQZZLV-UHFFFAOYSA-N
XLogP3.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)isoindole?
The IUPAC name of 2-(2-methylpropyl)isoindole (CID 174668407) is 2-(2-methylpropyl)isoindole.
What is the SMILES notation for 2-(2-methylpropyl)isoindole?
The canonical SMILES for 2-(2-methylpropyl)isoindole is CC(C)Cn1cc2ccccc2c1.
What is the InChIKey of 2-(2-methylpropyl)isoindole?
The InChIKey is VIOWDSBKIQZZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10(2)7-13-8-11-5-3-4-6-12(11)9-13/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)isoindole?
2-(2-methylpropyl)isoindole has a molecular weight of 173.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)isoindole is sourced from PubChem (CID 174668407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).