6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H21NO3 — CID 23471707

IUPAC6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C)cc1
InChIInChI=1S/C23H21NO3/c1-5-10-24-20(16-8-6-13(2)7-9-16)19-21(25)17-11-14(3)15(4)12-18(17)27-22(19)23(24)26/h5-9,11-12,20H,1,10H2,2-4H3
InChIKeyBPYNFHAIQIIKFT-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.45
Rot. Bonds3

About 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23471707) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23471707
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C)cc1
InChIInChI=1S/C23H21NO3/c1-5-10-24-20(16-8-6-13(2)7-9-16)19-21(25)17-11-14(3)15(4)12-18(17)27-22(19)23(24)26/h5-9,11-12,20H,1,10H2,2-4H3
InChIKeyBPYNFHAIQIIKFT-UHFFFAOYSA-N
XLogP4.45
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471714
6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471708
(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735686
7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882412
2,6,7-trimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879758
6,7-dimethyl-2-(4-methylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856722
2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4035612
(1S)-1-phenyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 974606
5,7-dimethyl-1-(4-methylsulfanylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880890
6,7-dimethyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856348
(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387551
6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706785

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23471707) is 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C)cc1.
What is the InChIKey of 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BPYNFHAIQIIKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-5-10-24-20(16-8-6-13(2)7-9-16)19-21(25)17-11-14(3)15(4)12-18(17)27-22(19)23(24)26/h5-9,11-12,20H,1,10H2,2-4H3.
What are the key properties of 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 359.43 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23471707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).