(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H16FNO3 — CID 42387554

IUPAC(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1F
InChIInChI=1S/C21H16FNO3/c1-3-10-23-18(13-6-4-5-7-15(13)22)17-19(24)14-11-12(2)8-9-16(14)26-20(17)21(23)25/h3-9,11,18H,1,10H2,2H3/t18-/m1/s1
InChIKeyYGGZMKXIJDGORD-GOSISDBHSA-N
MW349.36 g/mol
LogP3.97
Rot. Bonds3

About (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 42387554) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID42387554
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1F
InChIInChI=1S/C21H16FNO3/c1-3-10-23-18(13-6-4-5-7-15(13)22)17-19(24)14-11-12(2)8-9-16(14)26-20(17)21(23)25/h3-9,11,18H,1,10H2,2H3/t18-/m1/s1
InChIKeyYGGZMKXIJDGORD-GOSISDBHSA-N
XLogP3.97
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.97
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-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809854
1-(2-fluorophenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857876
(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387551
(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735686
(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2215692
6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471707
2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857871
7-chloro-1-(2-fluorophenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882569
2-benzyl-7-bromo-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3565473
7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854871
2-[7-bromo-1-(2-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
CID 3356487
7-bromo-1-(2-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4585678

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 42387554) is (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1F.
What is the InChIKey of (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YGGZMKXIJDGORD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H16FNO3/c1-3-10-23-18(13-6-4-5-7-15(13)22)17-19(24)14-11-12(2)8-9-16(14)26-20(17)21(23)25/h3-9,11,18H,1,10H2,2H3/t18-/m1/s1.
What are the key properties of (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 349.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 42387554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).