6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one

C20H17NO4 — CID 2238171

IUPAC6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
SMILESCOc1ccc2oc(=O)c(C(=O)N3c4ccccc4C[C@H]3C)cc2c1
InChIInChI=1S/C20H17NO4/c1-12-9-13-5-3-4-6-17(13)21(12)19(22)16-11-14-10-15(24-2)7-8-18(14)25-20(16)23/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1
InChIKeyOOIZEASHHBZHNA-GFCCVEGCSA-N
MW335.36 g/mol
LogP3.39
Rot. Bonds2

About 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one

6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one (PubChem CID 2238171) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
PubChem CID2238171
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
SMILESCOc1ccc2oc(=O)c(C(=O)N3c4ccccc4C[C@H]3C)cc2c1
InChIInChI=1S/C20H17NO4/c1-12-9-13-5-3-4-6-17(13)21(12)19(22)16-11-14-10-15(24-2)7-8-18(14)25-20(16)23/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1
InChIKeyOOIZEASHHBZHNA-GFCCVEGCSA-N
XLogP3.39
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 7347294
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one
CID 5262372
4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
CID 110295479
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one
CID 2146209
4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one
CID 110699372

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one?
The IUPAC name of 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one (CID 2238171) is 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one.
What is the SMILES notation for 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one?
The canonical SMILES for 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one is COc1ccc2oc(=O)c(C(=O)N3c4ccccc4C[C@H]3C)cc2c1.
What is the InChIKey of 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one?
The InChIKey is OOIZEASHHBZHNA-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12-9-13-5-3-4-6-17(13)21(12)19(22)16-11-14-10-15(24-2)7-8-18(14)25-20(16)23/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one?
6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one is sourced from PubChem (CID 2238171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).