benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate

C19H18N2O3 — CID 102192246

IUPACbenzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H18N2O3/c22-17-19(15-8-4-5-9-16(15)20-17)10-11-21(13-19)18(23)24-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,22)/t19-/m1/s1
InChIKeyGQVKZSBPBVMPRP-LJQANCHMSA-N
MW322.36 g/mol
LogP2.92
Rot. Bonds2

About benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate

benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 102192246) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID102192246
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namebenzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H18N2O3/c22-17-19(15-8-4-5-9-16(15)20-17)10-11-21(13-19)18(23)24-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,22)/t19-/m1/s1
InChIKeyGQVKZSBPBVMPRP-LJQANCHMSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183653
benzyl 2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 134794145
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192243
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 125183618
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate (CID 102192246) is benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate is O=C(OCc1ccccc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is GQVKZSBPBVMPRP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17-19(15-8-4-5-9-16(15)20-17)10-11-21(13-19)18(23)24-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,22)/t19-/m1/s1.
What are the key properties of benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate?
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 102192246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).