1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H21NO5 — CID 664040

IUPAC1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC2CCCO2)cc1
InChIInChI=1S/C23H21NO5/c1-27-15-10-8-14(9-11-15)20-19-21(25)17-6-2-3-7-18(17)29-22(19)23(26)24(20)13-16-5-4-12-28-16/h2-3,6-11,16,20H,4-5,12-13H2,1H3
InChIKeyJZOVRICZXKZXSJ-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664040) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID664040
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC2CCCO2)cc1
InChIInChI=1S/C23H21NO5/c1-27-15-10-8-14(9-11-15)20-19-21(25)17-6-2-3-7-18(17)29-22(19)23(26)24(20)13-16-5-4-12-28-16/h2-3,6-11,16,20H,4-5,12-13H2,1H3
InChIKeyJZOVRICZXKZXSJ-UHFFFAOYSA-N
XLogP3.53
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664040) is 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC2CCCO2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JZOVRICZXKZXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-15-10-8-14(9-11-15)20-19-21(25)17-6-2-3-7-18(17)29-22(19)23(26)24(20)13-16-5-4-12-28-16/h2-3,6-11,16,20H,4-5,12-13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 391.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).