2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H20N2O4 — CID 4702739

IUPAC2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C21H20N2O4/c1-22(2)11-12-23-18(13-7-9-14(24)10-8-13)17-19(25)15-5-3-4-6-16(15)27-20(17)21(23)26/h3-10,18,24H,11-12H2,1-2H3
InChIKeyVYGNEKNNPLWBMH-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4702739) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4702739
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C21H20N2O4/c1-22(2)11-12-23-18(13-7-9-14(24)10-8-13)17-19(25)15-5-3-4-6-16(15)27-20(17)21(23)26/h3-10,18,24H,11-12H2,1-2H3
InChIKeyVYGNEKNNPLWBMH-UHFFFAOYSA-N
XLogP2.61
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768048
(1R)-2-[2-(dimethylamino)ethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 941803
methyl 4-[(1R)-2-[3-(dimethylamino)propyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 7560102
2-[2-(dimethylamino)ethyl]-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705578
(1R)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7645644
(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026985
(1R)-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008929
(1S)-1-(4-tert-butylphenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023721
(1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2024420
(1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143941
1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4986790
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4702739) is 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(O)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VYGNEKNNPLWBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-22(2)11-12-23-18(13-7-9-14(24)10-8-13)17-19(25)15-5-3-4-6-16(15)27-20(17)21(23)26/h3-10,18,24H,11-12H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 364.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4702739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).