(3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one

C18H18N2O3 — CID 139069449

IUPAC(3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCC(=O)[C@H]1[C@H](c2ccco2)CN(C)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-11(21)16-12(15-8-5-9-23-15)10-20(2)18(16)13-6-3-4-7-14(13)19-17(18)22/h3-9,12,16H,10H2,1-2H3,(H,19,22)/t12-,16-,18-/m0/s1
InChIKeyBDFIVQBLXTYQQP-IWEFOYFVSA-N
MW310.35 g/mol
LogP2.36
Rot. Bonds2

About (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one

(3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 139069449) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID139069449
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCC(=O)[C@H]1[C@H](c2ccco2)CN(C)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-11(21)16-12(15-8-5-9-23-15)10-20(2)18(16)13-6-3-4-7-14(13)19-17(18)22/h3-9,12,16H,10H2,1-2H3,(H,19,22)/t12-,16-,18-/m0/s1
InChIKeyBDFIVQBLXTYQQP-IWEFOYFVSA-N
XLogP2.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 139069449) is (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one is CC(=O)[C@H]1[C@H](c2ccco2)CN(C)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is BDFIVQBLXTYQQP-IWEFOYFVSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(21)16-12(15-8-5-9-23-15)10-20(2)18(16)13-6-3-4-7-14(13)19-17(18)22/h3-9,12,16H,10H2,1-2H3,(H,19,22)/t12-,16-,18-/m0/s1.
What are the key properties of (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
(3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'S,4'S)-3'-acetyl-4'-(furan-2-yl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 139069449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).