4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one

C20H17NO3 — CID 41180251

IUPAC4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one
SMILESCc1ccc2c(CC(=O)N3CCc4ccccc43)cc(=O)oc2c1
InChIInChI=1S/C20H17NO3/c1-13-6-7-16-15(12-20(23)24-18(16)10-13)11-19(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10,12H,8-9,11H2,1H3
InChIKeyULQIKQDXJMUFCC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.23
Rot. Bonds2

About 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one

4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one (PubChem CID 41180251) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one
PubChem CID41180251
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one
SMILESCc1ccc2c(CC(=O)N3CCc4ccccc43)cc(=O)oc2c1
InChIInChI=1S/C20H17NO3/c1-13-6-7-16-15(12-20(23)24-18(16)10-13)11-19(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10,12H,8-9,11H2,1H3
InChIKeyULQIKQDXJMUFCC-UHFFFAOYSA-N
XLogP3.23
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 25482662
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1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 46367791
4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one
CID 6215321
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CID 110677413
ethyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]acetate
CID 11609010
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
2-benzo[e][1]benzofuran-1-yl-1-(2,3-dihydroindol-1-yl)ethanone
CID 933045

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one?
The IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one (CID 41180251) is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one?
The canonical SMILES for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one is Cc1ccc2c(CC(=O)N3CCc4ccccc43)cc(=O)oc2c1.
What is the InChIKey of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one?
The InChIKey is ULQIKQDXJMUFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-6-7-16-15(12-20(23)24-18(16)10-13)11-19(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one?
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one is sourced from PubChem (CID 41180251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).