ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate

C23H24N2O3 — CID 134811783

IUPACethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(c2cn(Cc3ccccc3)c3ccccc23)CC1=O
InChIInChI=1S/C23H24N2O3/c1-2-28-23(27)16-25-14-18(12-22(25)26)20-15-24(13-17-8-4-3-5-9-17)21-11-7-6-10-19(20)21/h3-11,15,18H,2,12-14,16H2,1H3
InChIKeyDSAXANDINFTPEQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.57
Rot. Bonds6

About ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate

ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate (PubChem CID 134811783) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate
PubChem CID134811783
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Nameethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(c2cn(Cc3ccccc3)c3ccccc23)CC1=O
InChIInChI=1S/C23H24N2O3/c1-2-28-23(27)16-25-14-18(12-22(25)26)20-15-24(13-17-8-4-3-5-9-17)21-11-7-6-10-19(20)21/h3-11,15,18H,2,12-14,16H2,1H3
InChIKeyDSAXANDINFTPEQ-UHFFFAOYSA-N
XLogP3.57
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate (CID 134811783) is ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate is CCOC(=O)CN1CC(c2cn(Cc3ccccc3)c3ccccc23)CC1=O.
What is the InChIKey of ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is DSAXANDINFTPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-28-23(27)16-25-14-18(12-22(25)26)20-15-24(13-17-8-4-3-5-9-17)21-11-7-6-10-19(20)21/h3-11,15,18H,2,12-14,16H2,1H3.
What are the key properties of ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate?
ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 376.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-benzylindol-3-yl)-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 134811783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).