(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H23NO4 — CID 40871611

IUPAC(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H23NO4/c1-14-5-8-16(9-6-14)21-20-22(26)18-10-7-15(2)12-19(18)29-23(20)24(27)25(21)13-17-4-3-11-28-17/h5-10,12,17,21H,3-4,11,13H2,1-2H3/t17-,21+/m0/s1
InChIKeyAQWFLHLZKIQNON-LAUBAEHRSA-N
MW389.45 g/mol
LogP4.13
Rot. Bonds3

About (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40871611) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40871611
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H23NO4/c1-14-5-8-16(9-6-14)21-20-22(26)18-10-7-15(2)12-19(18)29-23(20)24(27)25(21)13-17-4-3-11-28-17/h5-10,12,17,21H,3-4,11,13H2,1-2H3/t17-,21+/m0/s1
InChIKeyAQWFLHLZKIQNON-LAUBAEHRSA-N
XLogP4.13
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2218876
(1S)-1-(4-tert-butylphenyl)-7-methyl-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2014665
(1S)-7-methyl-1-(4-methylsulfanylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2037916
(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015174
6,7-dimethyl-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3611238
(1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2018164
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000240
7-bromo-1-(4-bromophenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820312
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000242
(1S)-6,8-dimethyl-1-(4-methylsulfanylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42278323
7-methyl-2-(oxolan-2-ylmethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820036
6,7-dimethyl-2-(oxolan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820432

Frequently Asked Questions

What is the IUPAC name of (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40871611) is (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1.
What is the InChIKey of (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AQWFLHLZKIQNON-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H23NO4/c1-14-5-8-16(9-6-14)21-20-22(26)18-10-7-15(2)12-19(18)29-23(20)24(27)25(21)13-17-4-3-11-28-17/h5-10,12,17,21H,3-4,11,13H2,1-2H3/t17-,21+/m0/s1.
What are the key properties of (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 389.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40871611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).