5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C22H19NO4 — CID 19130805

IUPAC5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2NC(=O)c3oc4c(C)c(C)ccc4c(=O)c32)c1
InChIInChI=1S/C22H19NO4/c1-4-10-26-15-7-5-6-14(11-15)18-17-19(24)16-9-8-12(2)13(3)20(16)27-21(17)22(25)23-18/h4-9,11,18H,1,10H2,2-3H3,(H,23,25)
InChIKeyVJFSQUHNWOQUEM-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.81
Rot. Bonds4

About 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130805) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130805
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2NC(=O)c3oc4c(C)c(C)ccc4c(=O)c32)c1
InChIInChI=1S/C22H19NO4/c1-4-10-26-15-7-5-6-14(11-15)18-17-19(24)16-9-8-12(2)13(3)20(16)27-21(17)22(25)23-18/h4-9,11,18H,1,10H2,2-3H3,(H,23,25)
InChIKeyVJFSQUHNWOQUEM-UHFFFAOYSA-N
XLogP3.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130803
5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130794
2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
CID 19130820
5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130861
1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130873
7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130706
7-bromo-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130602
7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130582
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130613
2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856954
2-(3,4-dimethylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852598
1-(3-bromophenyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130725

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130805) is 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2NC(=O)c3oc4c(C)c(C)ccc4c(=O)c32)c1.
What is the InChIKey of 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VJFSQUHNWOQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-4-10-26-15-7-5-6-14(11-15)18-17-19(24)16-9-8-12(2)13(3)20(16)27-21(17)22(25)23-18/h4-9,11,18H,1,10H2,2-3H3,(H,23,25).
What are the key properties of 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 361.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).