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

C25H26N2O4 — CID 2024420

IUPAC(1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C25H26N2O4/c1-4-16-30-18-12-10-17(11-13-18)22-21-23(28)19-8-5-6-9-20(19)31-24(21)25(29)27(22)15-7-14-26(2)3/h4-6,8-13,22H,1,7,14-16H2,2-3H3/t22-/m1/s1
InChIKeyVVQGOXMRSUNUTM-JOCHJYFZSA-N
MW418.49 g/mol
LogP3.85
Rot. Bonds8

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

(1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2024420) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2024420
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name(1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C25H26N2O4/c1-4-16-30-18-12-10-17(11-13-18)22-21-23(28)19-8-5-6-9-20(19)31-24(21)25(29)27(22)15-7-14-26(2)3/h4-6,8-13,22H,1,7,14-16H2,2-3H3/t22-/m1/s1
InChIKeyVVQGOXMRSUNUTM-JOCHJYFZSA-N
XLogP3.85
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-(3-ethoxypropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849886
(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-(4-butoxyphenyl)-2-[3-(dibutylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702821
methyl 4-[(1R)-2-[3-(dimethylamino)propyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 7560102
1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113855
1-(4-butoxy-3-methoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702864
2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472568
7-bromo-2-[3-(dimethylamino)propyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705898
2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702739
7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134441
(1S)-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849990

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2024420) is (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1.
What is the InChIKey of (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VVQGOXMRSUNUTM-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-4-16-30-18-12-10-17(11-13-18)22-21-23(28)19-8-5-6-9-20(19)31-24(21)25(29)27(22)15-7-14-26(2)3/h4-6,8-13,22H,1,7,14-16H2,2-3H3/t22-/m1/s1.
What are the key properties of (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 418.49 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2024420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).