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

C23H21NO4 — CID 2218876

IUPAC(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C23H21NO4/c1-14-8-10-15(11-9-14)20-19-21(25)17-6-2-3-7-18(17)28-22(19)23(26)24(20)13-16-5-4-12-27-16/h2-3,6-11,16,20H,4-5,12-13H2,1H3/t16-,20+/m0/s1
InChIKeyNSVVPLACZSEQII-OXJNMPFZSA-N
MW375.42 g/mol
LogP3.83
Rot. Bonds3

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

(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2218876) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2218876
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C23H21NO4/c1-14-8-10-15(11-9-14)20-19-21(25)17-6-2-3-7-18(17)28-22(19)23(26)24(20)13-16-5-4-12-27-16/h2-3,6-11,16,20H,4-5,12-13H2,1H3/t16-,20+/m0/s1
InChIKeyNSVVPLACZSEQII-OXJNMPFZSA-N
XLogP3.83
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871611
(1S)-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314881
(1S)-1-(3,4-dimethoxyphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528717
6,7-dimethyl-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3611238
(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)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011902
1-(3-bromophenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4667186
(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-(3-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7559980
(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015174
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000240
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000242

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2218876) is (1R)-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)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NSVVPLACZSEQII-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14-8-10-15(11-9-14)20-19-21(25)17-6-2-3-7-18(17)28-22(19)23(26)24(20)13-16-5-4-12-27-16/h2-3,6-11,16,20H,4-5,12-13H2,1H3/t16-,20+/m0/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 375.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2218876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).