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

C21H17NO3 — CID 7735686

IUPAC(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C21H17NO3/c1-3-12-22-18(14-10-8-13(2)9-11-14)17-19(23)15-6-4-5-7-16(15)25-20(17)21(22)24/h3-11,18H,1,12H2,2H3/t18-/m1/s1
InChIKeyZQKCEQTZEUBUSA-GOSISDBHSA-N
MW331.37 g/mol
LogP3.83
Rot. Bonds3

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

(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7735686) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7735686
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C21H17NO3/c1-3-12-22-18(14-10-8-13(2)9-11-14)17-19(23)15-6-4-5-7-16(15)25-20(17)21(22)24/h3-11,18H,1,12H2,2H3/t18-/m1/s1
InChIKeyZQKCEQTZEUBUSA-GOSISDBHSA-N
XLogP3.83
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.83
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

(1S)-1-phenyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 974606
6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471707
2-[(4-methylphenyl)methyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3347808
1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4678491
6-[(1S)-1-(4-methylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]hexanoic acid
CID 40849918
1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471714
(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2218876
2-[3-(dibutylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702797
(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387554
1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851992
(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387551
1-[3-(3-methylbutoxy)phenyl]-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2964607

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7735686) is (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZQKCEQTZEUBUSA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17NO3/c1-3-12-22-18(14-10-8-13(2)9-11-14)17-19(23)15-6-4-5-7-16(15)25-20(17)21(22)24/h3-11,18H,1,12H2,2H3/t18-/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 331.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7735686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).