2,3-dihydroisoindol-1-one;methane

C15H35NO — CID 161271775

IUPAC2,3-dihydroisoindol-1-one;methane
SMILESC.C.C.C.C.C.C.O=C1NCc2ccccc21
InChIInChI=1S/C8H7NO.7CH4/c10-8-7-4-2-1-3-6(7)5-9-8;;;;;;;/h1-4H,5H2,(H,9,10);7*1H4
InChIKeyVDXLKIPKMFYCOZ-UHFFFAOYSA-N
MW245.45 g/mol
LogP5.38
Rot. Bonds

About 2,3-dihydroisoindol-1-one;methane

2,3-dihydroisoindol-1-one;methane (PubChem CID 161271775) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is 2,3-dihydroisoindol-1-one;methane.

Molecular Properties

Compound Name2,3-dihydroisoindol-1-one;methane
PubChem CID161271775
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC Name2,3-dihydroisoindol-1-one;methane
SMILESC.C.C.C.C.C.C.O=C1NCc2ccccc21
InChIInChI=1S/C8H7NO.7CH4/c10-8-7-4-2-1-3-6(7)5-9-8;;;;;;;/h1-4H,5H2,(H,9,10);7*1H4
InChIKeyVDXLKIPKMFYCOZ-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.45
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroisoindol-1-one;methane?
The IUPAC name of 2,3-dihydroisoindol-1-one;methane (CID 161271775) is 2,3-dihydroisoindol-1-one;methane.
What is the SMILES notation for 2,3-dihydroisoindol-1-one;methane?
The canonical SMILES for 2,3-dihydroisoindol-1-one;methane is C.C.C.C.C.C.C.O=C1NCc2ccccc21.
What is the InChIKey of 2,3-dihydroisoindol-1-one;methane?
The InChIKey is VDXLKIPKMFYCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.7CH4/c10-8-7-4-2-1-3-6(7)5-9-8;;;;;;;/h1-4H,5H2,(H,9,10);7*1H4.
What are the key properties of 2,3-dihydroisoindol-1-one;methane?
2,3-dihydroisoindol-1-one;methane has a molecular weight of 245.45 g/mol, XLogP of 5.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroisoindol-1-one;methane is sourced from PubChem (CID 161271775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).