(1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H20N2O4 — CID 27316958

IUPAC(1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1
InChIInChI=1S/C26H20N2O4/c1-2-14-31-19-7-5-6-18(15-19)23-22-24(29)20-8-3-4-9-21(20)32-25(22)26(30)28(23)16-17-10-12-27-13-11-17/h2-13,15,23H,1,14,16H2/t23-/m1/s1
InChIKeyBGDNHELGNRIEEC-HSZRJFAPSA-N
MW424.46 g/mol
LogP4.50
Rot. Bonds6

About (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27316958) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID27316958
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name(1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1
InChIInChI=1S/C26H20N2O4/c1-2-14-31-19-7-5-6-18(15-19)23-22-24(29)20-8-3-4-9-21(20)32-25(22)26(30)28(23)16-17-10-12-27-13-11-17/h2-13,15,23H,1,14,16H2/t23-/m1/s1
InChIKeyBGDNHELGNRIEEC-HSZRJFAPSA-N
XLogP4.50
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4898712
1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3820149
(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034380
(1R)-2-(3-ethoxypropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849894
2-benzyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3635829
2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810927
(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
1-(3-pentoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113894
(1S)-2-(pyridin-4-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316976
(1S)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841786
6,8-dimethyl-1-(3-prop-2-enoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108871

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27316958) is (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1.
What is the InChIKey of (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BGDNHELGNRIEEC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-2-14-31-19-7-5-6-18(15-19)23-22-24(29)20-8-3-4-9-21(20)32-25(22)26(30)28(23)16-17-10-12-27-13-11-17/h2-13,15,23H,1,14,16H2/t23-/m1/s1.
What are the key properties of (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 424.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27316958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).