(1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H25N2O5+ — CID 2013531

IUPAC(1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+]2CCOCC2)c1
InChIInChI=1S/C24H24N2O5/c1-29-17-6-4-5-16(15-17)21-20-22(27)18-7-2-3-8-19(18)31-23(20)24(28)26(21)10-9-25-11-13-30-14-12-25/h2-8,15,21H,9-14H2,1H3/p+1/t21-/m1/s1
InChIKeyRSLCRYWXDZMQTN-OAQYLSRUSA-O
MW421.47 g/mol
LogP1.26
Rot. Bonds5

About (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2013531) has the molecular formula C24H25N2O5+ and a molecular weight of 421.47 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2013531
Molecular FormulaC24H25N2O5+
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name(1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+]2CCOCC2)c1
InChIInChI=1S/C24H24N2O5/c1-29-17-6-4-5-16(15-17)21-20-22(27)18-7-2-3-8-19(18)31-23(20)24(28)26(21)10-9-25-11-13-30-14-12-25/h2-8,15,21H,9-14H2,1H3/p+1/t21-/m1/s1
InChIKeyRSLCRYWXDZMQTN-OAQYLSRUSA-O
XLogP1.26
TPSA73.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002180
3-[(1R)-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2005998
(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034380
(1R)-2-(3-ethoxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849874
(1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196590
2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709202
(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009678
(1R)-1-(3-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7559980
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7523292
2-(3-morpholin-4-ylpropyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705097
1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472278
1-(3-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3794287

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2013531) is (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+]2CCOCC2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RSLCRYWXDZMQTN-OAQYLSRUSA-O. The full InChI is InChI=1S/C24H24N2O5/c1-29-17-6-4-5-16(15-17)21-20-22(27)18-7-2-3-8-19(18)31-23(20)24(28)26(21)10-9-25-11-13-30-14-12-25/h2-8,15,21H,9-14H2,1H3/p+1/t21-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 421.47 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2013531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).