(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C18H13NO3 — CID 7379009

IUPAC(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1
InChIInChI=1S/C18H13NO3/c1-19-15(11-7-3-2-4-8-11)14-16(20)12-9-5-6-10-13(12)22-17(14)18(19)21/h2-10,15H,1H3/t15-/m0/s1
InChIKeyISKLASWBHNTKQZ-HNNXBMFYSA-N
MW291.31 g/mol
LogP2.97
Rot. Bonds1

About (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7379009) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7379009
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1
InChIInChI=1S/C18H13NO3/c1-19-15(11-7-3-2-4-8-11)14-16(20)12-9-5-6-10-13(12)22-17(14)18(19)21/h2-10,15H,1H3/t15-/m0/s1
InChIKeyISKLASWBHNTKQZ-HNNXBMFYSA-N
XLogP2.97
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741307
7-bromo-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5153026
methyl 4-(2-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 5116718
2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3799985
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113827
1-(3-butoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879631
2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
CID 2014152
2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879633
2-(4-bromophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851964
(1S)-1-phenyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 974606
1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851992
2-[(4-methylphenyl)methyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3347808

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7379009) is (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1.
What is the InChIKey of (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ISKLASWBHNTKQZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-19-15(11-7-3-2-4-8-11)14-16(20)12-9-5-6-10-13(12)22-17(14)18(19)21/h2-10,15H,1H3/t15-/m0/s1.
What are the key properties of (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 291.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7379009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).