(1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H26N2O4 — CID 40872140

IUPAC(1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C28H26N2O4/c1-18-10-12-19(13-11-18)25-24-26(31)20-7-2-3-8-22(20)34-27(24)28(32)30(25)17-21(23-9-6-16-33-23)29-14-4-5-15-29/h2-3,6-13,16,21,25H,4-5,14-15,17H2,1H3/t21-,25-/m1/s1
InChIKeyIDHKUXPOUZNTLL-PXDATVDWSA-N
MW454.53 g/mol
LogP5.08
Rot. Bonds5

About (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40872140) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40872140
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name(1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C28H26N2O4/c1-18-10-12-19(13-11-18)25-24-26(31)20-7-2-3-8-22(20)34-27(24)28(32)30(25)17-21(23-9-6-16-33-23)29-14-4-5-15-29/h2-3,6-13,16,21,25H,4-5,14-15,17H2,1H3/t21-,25-/m1/s1
InChIKeyIDHKUXPOUZNTLL-PXDATVDWSA-N
XLogP5.08
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41062401
(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735686
(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2218876
2-[(4-methylphenyl)methyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3347808
6-[(1S)-1-(4-methylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]hexanoic acid
CID 40849918
(1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7010738
2-[3-(dibutylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702797
1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5168162
(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871956
(1R)-1-(4-butoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2213890
2-benzyl-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3844577
(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1303350

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40872140) is (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2ccco2)N2CCCC2)cc1.
What is the InChIKey of (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IDHKUXPOUZNTLL-PXDATVDWSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-18-10-12-19(13-11-18)25-24-26(31)20-7-2-3-8-22(20)34-27(24)28(32)30(25)17-21(23-9-6-16-33-23)29-14-4-5-15-29/h2-3,6-13,16,21,25H,4-5,14-15,17H2,1H3/t21-,25-/m1/s1.
What are the key properties of (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 454.53 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40872140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).