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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Related Compounds

2,3-dihydroisoindol-1-one;isoindole-1,3-dione
CID 68591479
bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one
CID 158725420
2,3-dihydroisoindol-1-one;perylene
CID 157138971
4-(dimethylaminomethylidene)-1,2-dihydroisoquinolin-3-one
CID 68694593
2,3-dihydroisoindol-1-one;2,3,5,6-tetrahydro-1,2-benzothiazole 1,1-dioxide
CID 144713254
2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 11240655
3,12,23,32-tetrazanonacyclo[32.6.6.614,21.05,10.015,20.025,30.035,40.041,46.047,52]dopentaconta-1(40),5,7,9,14(52),15,17,19,21(47),25,27,29,34,36,38,41,43,45,48,50-icosaene-4,11,24,31-tetrone
CID 102364029
2,3-dihydroisoindol-1-one;2-phenylchromen-4-one
CID 175495786
2,3-dihydro-1H-isoquinolin-4-one
CID 23008851
4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 118856234
6-bromo-2,3-dihydroisoindol-1-one
CID 22220919
2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
CID 141389708

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).