(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H23NO5 — CID 2015174

IUPAC(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H23NO5/c1-14-5-10-19-18(12-14)22(26)20-21(15-6-8-16(28-2)9-7-15)25(24(27)23(20)30-19)13-17-4-3-11-29-17/h5-10,12,17,21H,3-4,11,13H2,1-2H3/t17-,21+/m0/s1
InChIKeyYZJNZFBVXAOSMQ-LAUBAEHRSA-N
MW405.45 g/mol
LogP3.83
Rot. Bonds4

About (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2015174) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2015174
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H23NO5/c1-14-5-10-19-18(12-14)22(26)20-21(15-6-8-16(28-2)9-7-15)25(24(27)23(20)30-19)13-17-4-3-11-29-17/h5-10,12,17,21H,3-4,11,13H2,1-2H3/t17-,21+/m0/s1
InChIKeyYZJNZFBVXAOSMQ-LAUBAEHRSA-N
XLogP3.83
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871611
(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023225
7-methyl-2-(oxolan-2-ylmethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820036
(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2218876
(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
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809849
(1R)-1-(3-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7559980
6,7-dimethyl-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3611238

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2015174) is (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YZJNZFBVXAOSMQ-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H23NO5/c1-14-5-10-19-18(12-14)22(26)20-21(15-6-8-16(28-2)9-7-15)25(24(27)23(20)30-19)13-17-4-3-11-29-17/h5-10,12,17,21H,3-4,11,13H2,1-2H3/t17-,21+/m0/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 405.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2015174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).