1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H21FN2O3 — CID 78354327

IUPAC1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cccc(N2C(=O)C3=C(C(=O)C4CCCCC4O3)C2c2ccccc2F)n1
InChIInChI=1S/C23H21FN2O3/c1-13-7-6-12-18(25-13)26-20(14-8-2-4-10-16(14)24)19-21(27)15-9-3-5-11-17(15)29-22(19)23(26)28/h2,4,6-8,10,12,15,17,20H,3,5,9,11H2,1H3
InChIKeyMOTYFNJVZZZWJI-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.03
Rot. Bonds2

About 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 78354327) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID78354327
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cccc(N2C(=O)C3=C(C(=O)C4CCCCC4O3)C2c2ccccc2F)n1
InChIInChI=1S/C23H21FN2O3/c1-13-7-6-12-18(25-13)26-20(14-8-2-4-10-16(14)24)19-21(27)15-9-3-5-11-17(15)29-22(19)23(26)28/h2,4,6-8,10,12,15,17,20H,3,5,9,11H2,1H3
InChIKeyMOTYFNJVZZZWJI-UHFFFAOYSA-N
XLogP4.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 78354327) is 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)C3=C(C(=O)C4CCCCC4O3)C2c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MOTYFNJVZZZWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-13-7-6-12-18(25-13)26-20(14-8-2-4-10-16(14)24)19-21(27)15-9-3-5-11-17(15)29-22(19)23(26)28/h2,4,6-8,10,12,15,17,20H,3,5,9,11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 392.43 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 78354327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).