2-(2-methylpentan-2-yl)-3H-isoindol-1-one

C14H19NO — CID 142695069

IUPAC2-(2-methylpentan-2-yl)-3H-isoindol-1-one
SMILESCCCC(C)(C)N1Cc2ccccc2C1=O
InChIInChI=1S/C14H19NO/c1-4-9-14(2,3)15-10-11-7-5-6-8-12(11)13(15)16/h5-8H,4,9-10H2,1-3H3
InChIKeyNTFJFAJZVKHMOH-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.22
Rot. Bonds3

About 2-(2-methylpentan-2-yl)-3H-isoindol-1-one

2-(2-methylpentan-2-yl)-3H-isoindol-1-one (PubChem CID 142695069) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-methylpentan-2-yl)-3H-isoindol-1-one
PubChem CID142695069
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2-methylpentan-2-yl)-3H-isoindol-1-one
SMILESCCCC(C)(C)N1Cc2ccccc2C1=O
InChIInChI=1S/C14H19NO/c1-4-9-14(2,3)15-10-11-7-5-6-8-12(11)13(15)16/h5-8H,4,9-10H2,1-3H3
InChIKeyNTFJFAJZVKHMOH-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylpropan-2-yl)-3H-isoindol-1-one
CID 11172771
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3H-isoindol-1-one
CID 159104675
CID 167712207
CID 167712207
dimethyl (2R)-2-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanedioate
CID 10590674
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
2-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 23591920
2-(4-methylheptan-4-yl)isoindole-1,3-dione
CID 163719982
2-nonyl-3H-isoindol-1-one
CID 132543397
2-stannyl-3H-isoindol-1-one
CID 151195244
2-butylsulfonyl-3H-isoindol-1-one
CID 14494072
2-butan-2-yl-3H-isoindol-1-one;ethane
CID 177036147
2-[2-(bromomethyl)-2-propylpentyl]-3,4-dihydroisoquinolin-1-one
CID 65006276

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(2-methylpentan-2-yl)-3H-isoindol-1-one (CID 142695069) is 2-(2-methylpentan-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-methylpentan-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2-methylpentan-2-yl)-3H-isoindol-1-one is CCCC(C)(C)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(2-methylpentan-2-yl)-3H-isoindol-1-one?
The InChIKey is NTFJFAJZVKHMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-9-14(2,3)15-10-11-7-5-6-8-12(11)13(15)16/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-(2-methylpentan-2-yl)-3H-isoindol-1-one?
2-(2-methylpentan-2-yl)-3H-isoindol-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 142695069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).