(1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole

C10H13N — CID 55300087

IUPAC(1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole
SMILESC[C@@H]1N[C@@H](C)c2ccccc21
InChIInChI=1S/C10H13N/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-8,11H,1-2H3/t7-,8-/m0/s1
InChIKeyVNGGVSXGSNMCBG-YUMQZZPRSA-N
MW147.22 g/mol
LogP2.41
Rot. Bonds

About (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole

(1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole (PubChem CID 55300087) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name(1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole
PubChem CID55300087
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole
SMILESC[C@@H]1N[C@@H](C)c2ccccc21
InChIInChI=1S/C10H13N/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-8,11H,1-2H3/t7-,8-/m0/s1
InChIKeyVNGGVSXGSNMCBG-YUMQZZPRSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole?
The IUPAC name of (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole (CID 55300087) is (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole is C[C@@H]1N[C@@H](C)c2ccccc21.
What is the InChIKey of (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole?
The InChIKey is VNGGVSXGSNMCBG-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H13N/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-8,11H,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole?
(1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole has a molecular weight of 147.22 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 55300087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).