(1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H25NO5 — CID 40849894

IUPAC(1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)c1
InChIInChI=1S/C25H25NO5/c1-3-14-30-18-10-7-9-17(16-18)22-21-23(27)19-11-5-6-12-20(19)31-24(21)25(28)26(22)13-8-15-29-4-2/h3,5-7,9-12,16,22H,1,4,8,13-15H2,2H3/t22-/m1/s1
InChIKeyBECUHDHSFISUPR-JOCHJYFZSA-N
MW419.48 g/mol
LogP4.33
Rot. Bonds9

About (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40849894) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40849894
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name(1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)c1
InChIInChI=1S/C25H25NO5/c1-3-14-30-18-10-7-9-17(16-18)22-21-23(27)19-11-5-6-12-20(19)31-24(21)25(28)26(22)13-8-15-29-4-2/h3,5-7,9-12,16,22H,1,4,8,13-15H2,2H3/t22-/m1/s1
InChIKeyBECUHDHSFISUPR-JOCHJYFZSA-N
XLogP4.33
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-ethoxyphenyl)-2-(3-ethoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849884
(1R)-2-(3-ethoxypropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849886
(1R)-2-(3-ethoxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849874
(1R)-2-[3-(diethylamino)propyl]-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2027301
2-[3-(diethylamino)propyl]-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3397842
(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
1-(3-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3794287
(1S)-1-(3-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315548
(1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316958
3-[(1R)-3,9-dioxo-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2003313
(1S)-2-butyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316043

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40849894) is (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)c1.
What is the InChIKey of (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BECUHDHSFISUPR-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25NO5/c1-3-14-30-18-10-7-9-17(16-18)22-21-23(27)19-11-5-6-12-20(19)31-24(21)25(28)26(22)13-8-15-29-4-2/h3,5-7,9-12,16,22H,1,4,8,13-15H2,2H3/t22-/m1/s1.
What are the key properties of (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 419.48 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40849894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).