2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H28N2O5 — CID 663632

IUPAC2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C27H28N2O5/c1-2-16-33-20-10-8-19(9-11-20)24-23-25(30)21-6-3-4-7-22(21)34-26(23)27(31)29(24)13-5-12-28-14-17-32-18-15-28/h2-4,6-11,24H,1,5,12-18H2
InChIKeyBKIRLRRJQGLMNR-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.63
Rot. Bonds8

About 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 663632) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID663632
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C27H28N2O5/c1-2-16-33-20-10-8-19(9-11-20)24-23-25(30)21-6-3-4-7-22(21)34-26(23)27(31)29(24)13-5-12-28-14-17-32-18-15-28/h2-4,6-11,24H,1,5,12-18H2
InChIKeyBKIRLRRJQGLMNR-UHFFFAOYSA-N
XLogP3.63
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 663632) is 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BKIRLRRJQGLMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-2-16-33-20-10-8-19(9-11-20)24-23-25(30)21-6-3-4-7-22(21)34-26(23)27(31)29(24)13-5-12-28-14-17-32-18-15-28/h2-4,6-11,24H,1,5,12-18H2.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 460.53 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 663632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).