4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one

C20H19NO2 — CID 2088448

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one
SMILESCCc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1
InChIInChI=1S/C20H19NO2/c1-2-14-7-8-17-16(12-20(22)23-19(17)11-14)13-21-10-9-15-5-3-4-6-18(15)21/h3-8,11-12H,2,9-10,13H2,1H3
InChIKeyJBYKGYAXBSYBJB-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.92
Rot. Bonds3

About 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one

4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one (PubChem CID 2088448) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one
PubChem CID2088448
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one
SMILESCCc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1
InChIInChI=1S/C20H19NO2/c1-2-14-7-8-17-16(12-20(22)23-19(17)11-14)13-21-10-9-15-5-3-4-6-18(15)21/h3-8,11-12H,2,9-10,13H2,1H3
InChIKeyJBYKGYAXBSYBJB-UHFFFAOYSA-N
XLogP3.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.92
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

7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-one
CID 9926143
Spiro(2H-1-benzopyran-2,2'-(2H)indol)-6-ol, 1',3'-dihydro-1',3',3'-trimethyl-
CID 90866
4-{[ethyl(phenyl)amino]methyl}-7-methyl-2H-chromen-2-one
CID 6462220
4-{[(4-Ethoxy-phenyl)-methyl-amino]-methyl}-6-methoxy-chromen-2-one
CID 6485176
6-ethoxy-4-{[(4-ethoxyphenyl)(methyl)amino]methyl}-2H-chromen-2-one
CID 23606545
6-(2-(indolin-1-yl)-2-oxoethoxy)-4-methyl-2H-chromen-2-one
CID 661971
4-[[Benzyl(methyl)amino]methyl]-7-methylchromen-2-one
CID 2465980
7-[(3-Phenylamino-propylamino)-methyl]-chromen-2-one
CID 9818076
7-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-chromen-2-one
CID 9840797
7-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-chromen-2-one
CID 9841249
7-(4-Phenyl-piperazin-1-ylmethyl)-chromen-2-one
CID 9883552
7-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-chromen-2-one
CID 9884771

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one (CID 2088448) is 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one is CCc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one?
The InChIKey is JBYKGYAXBSYBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-14-7-8-17-16(12-20(22)23-19(17)11-14)13-21-10-9-15-5-3-4-6-18(15)21/h3-8,11-12H,2,9-10,13H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one?
4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-7-ethylchromen-2-one is sourced from PubChem (CID 2088448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).