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

C21H19NO4 — CID 27316000

IUPAC(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1
InChIInChI=1S/C21H19NO4/c1-2-3-11-22-18(13-7-6-8-14(23)12-13)17-19(24)15-9-4-5-10-16(15)26-20(17)21(22)25/h4-10,12,18,23H,2-3,11H2,1H3/t18-/m0/s1
InChIKeyIHBSMISWBSOWLZ-SFHVURJKSA-N
MW349.39 g/mol
LogP3.84
Rot. Bonds4

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

(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27316000) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID27316000
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1
InChIInChI=1S/C21H19NO4/c1-2-3-11-22-18(13-7-6-8-14(23)12-13)17-19(24)15-9-4-5-10-16(15)26-20(17)21(22)25/h4-10,12,18,23H,2-3,11H2,1H3/t18-/m0/s1
InChIKeyIHBSMISWBSOWLZ-SFHVURJKSA-N
XLogP3.84
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40872018
(1R)-1-(3-hydroxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143765
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113827
(1S)-2-butyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316024
(1R)-1-(3-butoxyphenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27350267
2-pentyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113842
(1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315522
(1S)-2-butyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316043
(1R)-2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143952
(1S)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40728678
2-[3-(dibutylamino)propyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702798
(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-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27316000) is (1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1.
What is the InChIKey of (1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IHBSMISWBSOWLZ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19NO4/c1-2-3-11-22-18(13-7-6-8-14(23)12-13)17-19(24)15-9-4-5-10-16(15)26-20(17)21(22)25/h4-10,12,18,23H,2-3,11H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 349.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27316000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).