(1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C18H11FN2O5 — CID 92951290

IUPAC(1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H11FN2O5/c1-20-15(9-2-5-11(6-3-9)21(24)25)14-16(22)12-8-10(19)4-7-13(12)26-17(14)18(20)23/h2-8,15H,1H3/t15-/m0/s1
InChIKeyQPDMCDFTWGZOBE-HNNXBMFYSA-N
MW354.29 g/mol
LogP3.02
Rot. Bonds2

About (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 92951290) has the molecular formula C18H11FN2O5 and a molecular weight of 354.29 g/mol. Its IUPAC name is (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID92951290
Molecular FormulaC18H11FN2O5
Molecular Weight354.29 g/mol
Exact Mass354.07
IUPAC Name(1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H11FN2O5/c1-20-15(9-2-5-11(6-3-9)21(24)25)14-16(22)12-8-10(19)4-7-13(12)26-17(14)18(20)23/h2-8,15H,1H3/t15-/m0/s1
InChIKeyQPDMCDFTWGZOBE-HNNXBMFYSA-N
XLogP3.02
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-7-fluoro-1-(4-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741478
(1S)-7-fluoro-2-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735019
(1R)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066651
7-fluoro-2-[(4-fluorophenyl)methyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810250
(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1423205
7-fluoro-1-(4-nitrophenyl)-2-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820720
2,7-dimethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3816143
7-fluoro-2-(3-hydroxypropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3776570
(1R)-1-(3-fluorophenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7732572
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
7-chloro-2-(2-hydroxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3845700
7-bromo-2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705639

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 92951290) is (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QPDMCDFTWGZOBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H11FN2O5/c1-20-15(9-2-5-11(6-3-9)21(24)25)14-16(22)12-8-10(19)4-7-13(12)26-17(14)18(20)23/h2-8,15H,1H3/t15-/m0/s1.
What are the key properties of (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 354.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 92951290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).