6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H25NO6 — CID 18890830

IUPAC6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H25NO6/c1-7-8-26-21(15-11-17(29-4)23(31-6)18(12-15)30-5)20-22(27)19-14(3)9-13(2)10-16(19)32-24(20)25(26)28/h7,9-12,21H,1,8H2,2-6H3
InChIKeyANYIYDNPQBOWDA-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.17
Rot. Bonds6

About 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890830) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890830
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H25NO6/c1-7-8-26-21(15-11-17(29-4)23(31-6)18(12-15)30-5)20-22(27)19-14(3)9-13(2)10-16(19)32-24(20)25(26)28/h7,9-12,21H,1,8H2,2-6H3
InChIKeyANYIYDNPQBOWDA-UHFFFAOYSA-N
XLogP4.17
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890732
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890835
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890762
6,8-dimethyl-1-[3-(3-methylbutoxy)phenyl]-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108952
1-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890726
6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471707
2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890904
2-(2-methoxyethyl)-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706227
1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109012
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108780
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109178

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890830) is 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ANYIYDNPQBOWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-7-8-26-21(15-11-17(29-4)23(31-6)18(12-15)30-5)20-22(27)19-14(3)9-13(2)10-16(19)32-24(20)25(26)28/h7,9-12,21H,1,8H2,2-6H3.
What are the key properties of 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 435.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).