1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C21H19NO4 — CID 19130385

IUPAC1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2NC(=O)c3oc4ccccc4c(=O)c32)cc1
InChIInChI=1S/C21H19NO4/c1-2-3-12-25-14-10-8-13(9-11-14)18-17-19(23)15-6-4-5-7-16(15)26-20(17)21(24)22-18/h4-11,18H,2-3,12H2,1H3,(H,22,24)
InChIKeyLSWBSAZYKRMUNP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130385) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130385
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2NC(=O)c3oc4ccccc4c(=O)c32)cc1
InChIInChI=1S/C21H19NO4/c1-2-3-12-25-14-10-8-13(9-11-14)18-17-19(23)15-6-4-5-7-16(15)26-20(17)21(24)22-18/h4-11,18H,2-3,12H2,1H3,(H,22,24)
InChIKeyLSWBSAZYKRMUNP-UHFFFAOYSA-N
XLogP3.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)-7-fluoro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130534
1-(3-methoxy-4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130376
1-(4-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688
7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130533
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694
1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130381
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130475
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113855
1-(4-butoxy-3-methoxyphenyl)-7-chloro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130488
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130607
1-(4-butoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709206

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130385) is 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCCCOc1ccc(C2NC(=O)c3oc4ccccc4c(=O)c32)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LSWBSAZYKRMUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-2-3-12-25-14-10-8-13(9-11-14)18-17-19(23)15-6-4-5-7-16(15)26-20(17)21(24)22-18/h4-11,18H,2-3,12H2,1H3,(H,22,24).
What are the key properties of 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 349.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).