6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one

C20H17NO4 — CID 661971

IUPAC6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2ccc(OCC(=O)N3CCc4ccccc43)cc12
InChIInChI=1S/C20H17NO4/c1-13-10-20(23)25-18-7-6-15(11-16(13)18)24-12-19(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10-11H,8-9,12H2,1H3
InChIKeySOXHXRUVTCZZKK-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.07
Rot. Bonds3

About 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one

6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one (PubChem CID 661971) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
PubChem CID661971
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2ccc(OCC(=O)N3CCc4ccccc43)cc12
InChIInChI=1S/C20H17NO4/c1-13-10-20(23)25-18-7-6-15(11-16(13)18)24-12-19(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10-11H,8-9,12H2,1H3
InChIKeySOXHXRUVTCZZKK-UHFFFAOYSA-N
XLogP3.07
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one?
The IUPAC name of 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one (CID 661971) is 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one.
What is the SMILES notation for 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one?
The canonical SMILES for 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2ccc(OCC(=O)N3CCc4ccccc43)cc12.
What is the InChIKey of 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one?
The InChIKey is SOXHXRUVTCZZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-13-10-20(23)25-18-7-6-15(11-16(13)18)24-12-19(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one?
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methylchromen-2-one is sourced from PubChem (CID 661971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).