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

C24H25N2O5+ — CID 2002180

IUPAC(1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CC[NH+]1CCOCC1
InChIInChI=1S/C24H24N2O5/c1-29-18-8-4-2-6-16(18)21-20-22(27)17-7-3-5-9-19(17)31-23(20)24(28)26(21)11-10-25-12-14-30-15-13-25/h2-9,21H,10-15H2,1H3/p+1/t21-/m1/s1
InChIKeyPNISSEXJUPTADK-OAQYLSRUSA-O
MW421.47 g/mol
LogP1.26
Rot. Bonds5

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

(1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2002180) has the molecular formula C24H25N2O5+ and a molecular weight of 421.47 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2002180
Molecular FormulaC24H25N2O5+
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name(1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CC[NH+]1CCOCC1
InChIInChI=1S/C24H24N2O5/c1-29-18-8-4-2-6-16(18)21-20-22(27)17-7-3-5-9-19(17)31-23(20)24(28)26(21)11-10-25-12-14-30-15-13-25/h2-9,21H,10-15H2,1H3/p+1/t21-/m1/s1
InChIKeyPNISSEXJUPTADK-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-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2013531
(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026985
3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2004249
(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835761
3-acetyl-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 3586144
(1R)-2-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2045156
(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835601
(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009678
(1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002133
(1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196590
13-(2-methoxyphenyl)-14-(3-morpholin-4-ylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134186
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894342

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2002180) is (1R)-1-(2-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-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CC[NH+]1CCOCC1.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PNISSEXJUPTADK-OAQYLSRUSA-O. The full InChI is InChI=1S/C24H24N2O5/c1-29-18-8-4-2-6-16(18)21-20-22(27)17-7-3-5-9-19(17)31-23(20)24(28)26(21)11-10-25-12-14-30-15-13-25/h2-9,21H,10-15H2,1H3/p+1/t21-/m1/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(2-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-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2002180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).