3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one

C20H15NO2 — CID 91677414

IUPAC3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one
SMILESCc1cc(-n2cccc2)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C20H15NO2/c1-14-12-16(21-10-4-5-11-21)8-9-17(14)18-13-15-6-2-3-7-19(15)23-20(18)22/h2-13H,1H3
InChIKeyWFLWKKIOIMWGCH-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.56
Rot. Bonds2

About 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one

3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one (PubChem CID 91677414) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one.

Molecular Properties

Compound Name3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one
PubChem CID91677414
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one
SMILESCc1cc(-n2cccc2)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C20H15NO2/c1-14-12-16(21-10-4-5-11-21)8-9-17(14)18-13-15-6-2-3-7-19(15)23-20(18)22/h2-13H,1H3
InChIKeyWFLWKKIOIMWGCH-UHFFFAOYSA-N
XLogP4.56
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.56
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

3-[4-(ethylamino)-2-methylphenyl]chromen-2-one
CID 91688943
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
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CID 141206894
2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide
CID 30309342
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CID 102442482
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CID 46329150
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 951231
dihydroxy(oxo)phosphanium;3-methylchromen-2-one
CID 175149371
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide
CID 163122610
3-(2-methoxy-4-pentylphenyl)chromen-2-one
CID 147832089

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one?
The IUPAC name of 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one (CID 91677414) is 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one.
What is the SMILES notation for 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one?
The canonical SMILES for 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one is Cc1cc(-n2cccc2)ccc1-c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one?
The InChIKey is WFLWKKIOIMWGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-14-12-16(21-10-4-5-11-21)8-9-17(14)18-13-15-6-2-3-7-19(15)23-20(18)22/h2-13H,1H3.
What are the key properties of 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one?
3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one has a molecular weight of 301.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyrrol-1-ylphenyl)chromen-2-one is sourced from PubChem (CID 91677414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).