7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one

C17H15NO3 — CID 72947320

IUPAC7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one
SMILESCOc1ccc2c(c1)OCCC21NC(=O)c2ccccc21
InChIInChI=1S/C17H15NO3/c1-20-11-6-7-14-15(10-11)21-9-8-17(14)13-5-3-2-4-12(13)16(19)18-17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyZCUKIAOYJHPXHM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.46
Rot. Bonds1

About 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one

7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one (PubChem CID 72947320) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one.

Molecular Properties

Compound Name7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one
PubChem CID72947320
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one
SMILESCOc1ccc2c(c1)OCCC21NC(=O)c2ccccc21
InChIInChI=1S/C17H15NO3/c1-20-11-6-7-14-15(10-11)21-9-8-17(14)13-5-3-2-4-12(13)16(19)18-17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyZCUKIAOYJHPXHM-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17405515
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
(4S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 8005827
6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
CID 70585209
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105494118
5-(dimethylamino)-8-methoxy-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82244240
spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
2-[5-(aminomethyl)-8-methoxy-3,4-dihydro-2H-1-benzoxepin-5-yl]-N,N-dimethylethanamine
CID 82248813
8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351253
7-phenylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 11779204
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one?
The IUPAC name of 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one (CID 72947320) is 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one.
What is the SMILES notation for 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one?
The canonical SMILES for 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one is COc1ccc2c(c1)OCCC21NC(=O)c2ccccc21.
What is the InChIKey of 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one?
The InChIKey is ZCUKIAOYJHPXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-11-6-7-14-15(10-11)21-9-8-17(14)13-5-3-2-4-12(13)16(19)18-17/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one?
7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one has a molecular weight of 281.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one is sourced from PubChem (CID 72947320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).