7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H18BrNO5 — CID 18879753

IUPAC7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1OC
InChIInChI=1S/C22H18BrNO5/c1-4-9-28-16-7-5-12(10-17(16)27-3)19-18-20(25)14-11-13(23)6-8-15(14)29-21(18)22(26)24(19)2/h4-8,10-11,19H,1,9H2,2-3H3
InChIKeyTVXYDPATOSJHKR-UHFFFAOYSA-N
MW456.29 g/mol
LogP4.30
Rot. Bonds5

About 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18879753) has the molecular formula C22H18BrNO5 and a molecular weight of 456.29 g/mol. Its IUPAC name is 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18879753
Molecular FormulaC22H18BrNO5
Molecular Weight456.29 g/mol
Exact Mass455.04
IUPAC Name7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1OC
InChIInChI=1S/C22H18BrNO5/c1-4-9-28-16-7-5-12(10-17(16)27-3)19-18-20(25)14-11-13(23)6-8-15(14)29-21(18)22(26)24(19)2/h4-8,10-11,19H,1,9H2,2-3H3
InChIKeyTVXYDPATOSJHKR-UHFFFAOYSA-N
XLogP4.30
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.29
LogP ≤ 54.30
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

7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855241
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706498
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130613
7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855101
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879748
(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023388
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705405
(1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42414935
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810665
2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858240
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705375
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820358

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18879753) is 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1OC.
What is the InChIKey of 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is TVXYDPATOSJHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO5/c1-4-9-28-16-7-5-12(10-17(16)27-3)19-18-20(25)14-11-13(23)6-8-15(14)29-21(18)22(26)24(19)2/h4-8,10-11,19H,1,9H2,2-3H3.
What are the key properties of 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 456.29 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18879753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).