(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H22N2O4 — CID 2026985

IUPAC(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCN(C)C
InChIInChI=1S/C22H22N2O4/c1-23(2)12-13-24-19(14-8-4-6-10-16(14)27-3)18-20(25)15-9-5-7-11-17(15)28-21(18)22(24)26/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
InChIKeyKELKBGVWLZDJKC-IBGZPJMESA-N
MW378.43 g/mol
LogP2.91
Rot. Bonds5

About (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2026985) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2026985
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCN(C)C
InChIInChI=1S/C22H22N2O4/c1-23(2)12-13-24-19(14-8-4-6-10-16(14)27-3)18-20(25)15-9-5-7-11-17(15)28-21(18)22(24)26/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
InChIKeyKELKBGVWLZDJKC-IBGZPJMESA-N
XLogP2.91
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894342
(1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7177341
(1S)-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417811
3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2004249
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066355
2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4273155
(13R)-14-[3-(dimethylamino)propyl]-13-(2-methoxyphenyl)-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 42066271
(1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002180
(1R)-2-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2045156
2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702739
(1S)-7-chloro-1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066309
(1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2010916

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2026985) is (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCN(C)C.
What is the InChIKey of (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KELKBGVWLZDJKC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N2O4/c1-23(2)12-13-24-19(14-8-4-6-10-16(14)27-3)18-20(25)15-9-5-7-11-17(15)28-21(18)22(24)26/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1.
What are the key properties of (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 378.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2026985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).