2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one

C15H21NO — CID 20737875

IUPAC2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one
SMILESCC(C)C(=O)C1c2ccccc2CN1C(C)C
InChIInChI=1S/C15H21NO/c1-10(2)15(17)14-13-8-6-5-7-12(13)9-16(14)11(3)4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyPGXWNVXZJNGECI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds3

About 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one

2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one (PubChem CID 20737875) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one
PubChem CID20737875
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one
SMILESCC(C)C(=O)C1c2ccccc2CN1C(C)C
InChIInChI=1S/C15H21NO/c1-10(2)15(17)14-13-8-6-5-7-12(13)9-16(14)11(3)4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyPGXWNVXZJNGECI-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one (CID 20737875) is 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one is CC(C)C(=O)C1c2ccccc2CN1C(C)C.
What is the InChIKey of 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one?
The InChIKey is PGXWNVXZJNGECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)15(17)14-13-8-6-5-7-12(13)9-16(14)11(3)4/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one?
2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-yl-1,3-dihydroisoindol-1-yl)propan-1-one is sourced from PubChem (CID 20737875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).