(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole

C11H15N — CID 158376445

IUPAC(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
SMILESCC(C)[C@H]1NCc2ccccc21
InChIInChI=1S/C11H15N/c1-8(2)11-10-6-4-3-5-9(10)7-12-11/h3-6,8,11-12H,7H2,1-2H3/t11-/m1/s1
InChIKeyKBOBAQOAQXTNCU-LLVKDONJSA-N
MW161.25 g/mol
LogP2.49
Rot. Bonds1

About (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole

(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole (PubChem CID 158376445) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
PubChem CID158376445
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
SMILESCC(C)[C@H]1NCc2ccccc21
InChIInChI=1S/C11H15N/c1-8(2)11-10-6-4-3-5-9(10)7-12-11/h3-6,8,11-12H,7H2,1-2H3/t11-/m1/s1
InChIKeyKBOBAQOAQXTNCU-LLVKDONJSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
CID 65042192
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol
CID 65041588
3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 64686607
3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol
CID 84732147
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
1-(2,3-dihydro-1H-isoindol-1-yl)-2-methylpropan-1-one
CID 166510836
3,3-dimethyl-1-propan-2-yl-1,2-dihydroisoindole;1,1-dimethyl-3-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-propan-2-yl-2,3-dihydro-1H-isoindole;3-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 162098667
(1R)-1-tert-butyl-2,3-dihydro-1H-isoindole
CID 139332278
1-(2,3-dihydro-1H-isoindol-1-yl)-4-methylsulfanylbutan-1-ol
CID 103089718
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol
CID 81319309
2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol
CID 65041820

Frequently Asked Questions

What is the IUPAC name of (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole?
The IUPAC name of (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole (CID 158376445) is (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole?
The canonical SMILES for (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole is CC(C)[C@H]1NCc2ccccc21.
What is the InChIKey of (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole?
The InChIKey is KBOBAQOAQXTNCU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15N/c1-8(2)11-10-6-4-3-5-9(10)7-12-11/h3-6,8,11-12H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole?
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole has a molecular weight of 161.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 158376445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).