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

C19H15NO4 — CID 40872018

IUPAC(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1
InChIInChI=1S/C19H15NO4/c1-2-20-16(11-6-5-7-12(21)10-11)15-17(22)13-8-3-4-9-14(13)24-18(15)19(20)23/h3-10,16,21H,2H2,1H3/t16-/m0/s1
InChIKeyXUIBFITZDLVVAI-INIZCTEOSA-N
MW321.33 g/mol
LogP3.06
Rot. Bonds2

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

(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40872018) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40872018
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1
InChIInChI=1S/C19H15NO4/c1-2-20-16(11-6-5-7-12(21)10-11)15-17(22)13-8-3-4-9-14(13)24-18(15)19(20)23/h3-10,16,21H,2H2,1H3/t16-/m0/s1
InChIKeyXUIBFITZDLVVAI-INIZCTEOSA-N
XLogP3.06
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316000
(1R)-2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143952
(1R)-1-(3-hydroxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143765
(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871956
(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143972
2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136139
2-ethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3419469
(1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315522
(1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1402414
(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851037
2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705504
(1S)-1-(3-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315548

Frequently Asked Questions

What is the IUPAC name of (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40872018) is (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1.
What is the InChIKey of (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XUIBFITZDLVVAI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-20-16(11-6-5-7-12(21)10-11)15-17(22)13-8-3-4-9-14(13)24-18(15)19(20)23/h3-10,16,21H,2H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 321.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40872018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).