1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one

C19H15NO3 — CID 164681987

IUPAC1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one
SMILESCOc1ccc(-n2cc(C)c3c(=O)oc4ccccc4c32)cc1
InChIInChI=1S/C19H15NO3/c1-12-11-20(13-7-9-14(22-2)10-8-13)18-15-5-3-4-6-16(15)23-19(21)17(12)18/h3-11H,1-2H3
InChIKeyKUMLIGCPIBUCAG-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.05
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one

1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one (PubChem CID 164681987) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one
PubChem CID164681987
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one
SMILESCOc1ccc(-n2cc(C)c3c(=O)oc4ccccc4c32)cc1
InChIInChI=1S/C19H15NO3/c1-12-11-20(13-7-9-14(22-2)10-8-13)18-15-5-3-4-6-16(15)23-19(21)17(12)18/h3-11H,1-2H3
InChIKeyKUMLIGCPIBUCAG-UHFFFAOYSA-N
XLogP4.05
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.05
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

2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
13-(4-methoxyphenyl)-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one
CID 132849199
1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
CID 172560964
8-chloro-1-(4-methoxyphenyl)-3-methylchromeno[3,4-d]pyrazol-4-one
CID 139225177
3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
CID 18887609
1,2-dimethylchromeno[3,4-d]imidazol-4-one
CID 773639
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one
CID 54450197
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
11-(4-methoxyphenyl)-16-methyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one
CID 66562936
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ylmethyl)chromen-2-one
CID 23004569
3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
CID 102502970

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one (CID 164681987) is 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one is COc1ccc(-n2cc(C)c3c(=O)oc4ccccc4c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one?
The InChIKey is KUMLIGCPIBUCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-12-11-20(13-7-9-14(22-2)10-8-13)18-15-5-3-4-6-16(15)23-19(21)17(12)18/h3-11H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one?
1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one has a molecular weight of 305.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 164681987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).