1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H24N2O4 — CID 74685402

IUPAC1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC1CC2OC3=C(C(=O)C2CC1C)C(c1ccc(O)cc1)N(c1ccccn1)C3=O
InChIInChI=1S/C24H24N2O4/c1-13-11-17-18(12-14(13)2)30-23-20(22(17)28)21(15-6-8-16(27)9-7-15)26(24(23)29)19-5-3-4-10-25-19/h3-10,13-14,17-18,21,27H,11-12H2,1-2H3
InChIKeyNNAVMCHYXRJCAZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.78
Rot. Bonds2

About 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 74685402) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID74685402
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC1CC2OC3=C(C(=O)C2CC1C)C(c1ccc(O)cc1)N(c1ccccn1)C3=O
InChIInChI=1S/C24H24N2O4/c1-13-11-17-18(12-14(13)2)30-23-20(22(17)28)21(15-6-8-16(27)9-7-15)26(24(23)29)19-5-3-4-10-25-19/h3-10,13-14,17-18,21,27H,11-12H2,1-2H3
InChIKeyNNAVMCHYXRJCAZ-UHFFFAOYSA-N
XLogP3.78
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(4-tert-butylphenyl)-7-methyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74720945
7-methyl-1,2-dipyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78371578
7-methyl-2-pyridin-2-yl-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78372607
methyl 4-(7-fluoro-3,9-dioxo-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 74744788
1-(3-hydroxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261441
1-(4-butoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78331082
1-(4-fluorophenyl)-7-methyl-2-(6-methyl-2-pyridinyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78317045
7-fluoro-1-(3-propoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74744782
7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746881
1-(3-propoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78332848
1-(4-hydroxyphenyl)-7-methyl-2-(5-propyl-1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254101
2-(furan-2-ylmethyl)-6,7-dimethyl-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255444

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 74685402) is 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC1CC2OC3=C(C(=O)C2CC1C)C(c1ccc(O)cc1)N(c1ccccn1)C3=O.
What is the InChIKey of 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NNAVMCHYXRJCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-13-11-17-18(12-14(13)2)30-23-20(22(17)28)21(15-6-8-16(27)9-7-15)26(24(23)29)19-5-3-4-10-25-19/h3-10,13-14,17-18,21,27H,11-12H2,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 404.47 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 74685402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).