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

C23H26ClNO4 — CID 78255246

IUPAC1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC1CCC2OC3=C(C(=O)C2C1)C(c1cccc(Cl)c1)N(CC1CCCO1)C3=O
InChIInChI=1S/C23H26ClNO4/c1-13-7-8-18-17(10-13)21(26)19-20(14-4-2-5-15(24)11-14)25(23(27)22(19)29-18)12-16-6-3-9-28-16/h2,4-5,11,13,16-18,20H,3,6-10,12H2,1H3
InChIKeyWYEDCYQVEYKVIR-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.06
Rot. Bonds3

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

1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 78255246) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID78255246
Molecular FormulaC23H26ClNO4
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC1CCC2OC3=C(C(=O)C2C1)C(c1cccc(Cl)c1)N(CC1CCCO1)C3=O
InChIInChI=1S/C23H26ClNO4/c1-13-7-8-18-17(10-13)21(26)19-20(14-4-2-5-15(24)11-14)25(23(27)22(19)29-18)12-16-6-3-9-28-16/h2,4-5,11,13,16-18,20H,3,6-10,12H2,1H3
InChIKeyWYEDCYQVEYKVIR-UHFFFAOYSA-N
XLogP4.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-(oxolan-2-ylmethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254690
7-fluoro-1-(4-fluorophenyl)-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255171
1-(3-chlorophenyl)-7-methyl-2-(1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254359
1-(4-tert-butylphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256185
2-(2-hydroxyethyl)-7-methyl-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73261395
(2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1033351
1-(3-chlorophenyl)-2-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254430
2-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261483
7-chloro-1-(3-chlorophenyl)-2,6-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73263732
1-(3-butoxyphenyl)-2-[3-(dimethylamino)propyl]-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73261163
2-[(4-fluorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261505
1-(4-hydroxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261592

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 78255246) is 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC1CCC2OC3=C(C(=O)C2C1)C(c1cccc(Cl)c1)N(CC1CCCO1)C3=O.
What is the InChIKey of 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WYEDCYQVEYKVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO4/c1-13-7-8-18-17(10-13)21(26)19-20(14-4-2-5-15(24)11-14)25(23(27)22(19)29-18)12-16-6-3-9-28-16/h2,4-5,11,13,16-18,20H,3,6-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 415.92 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-7-methyl-2-(oxolan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 78255246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).