ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate

C20H24N2O3 — CID 94785525

IUPACethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate
SMILESC=CCN1C(=O)[C@]2(c3ccccc31)[C@H](C(=O)OCC)C[C@H]1CCCN12
InChIInChI=1S/C20H24N2O3/c1-3-11-21-17-10-6-5-9-15(17)20(19(21)24)16(18(23)25-4-2)13-14-8-7-12-22(14)20/h3,5-6,9-10,14,16H,1,4,7-8,11-13H2,2H3/t14-,16+,20+/m1/s1
InChIKeyJVWYETQZISRLNA-IIMJZQEZSA-N
MW340.42 g/mol
LogP2.46
Rot. Bonds4

About ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate

ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate (PubChem CID 94785525) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate
PubChem CID94785525
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate
SMILESC=CCN1C(=O)[C@]2(c3ccccc31)[C@H](C(=O)OCC)C[C@H]1CCCN12
InChIInChI=1S/C20H24N2O3/c1-3-11-21-17-10-6-5-9-15(17)20(19(21)24)16(18(23)25-4-2)13-14-8-7-12-22(14)20/h3,5-6,9-10,14,16H,1,4,7-8,11-13H2,2H3/t14-,16+,20+/m1/s1
InChIKeyJVWYETQZISRLNA-IIMJZQEZSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 126459734
1'-acetyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylic acid
CID 53212917
1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one
CID 126459377
N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 126459729
(2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 86771857
1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 22553781
(3aR,4R,8aR,8bS)-2-phenyl-1'-prop-2-enylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione
CID 7353045
(3aR,4S,8aR,8bS)-2-phenyl-1'-prop-2-enylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione
CID 7353048
N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 22553750
1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 126459541
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
(3aR,4R,8aR,8bR)-2-(3-chlorophenyl)-1'-prop-2-enylspiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-1,2',3-trione
CID 26314582

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate?
The IUPAC name of ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate (CID 94785525) is ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate?
The canonical SMILES for ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate is C=CCN1C(=O)[C@]2(c3ccccc31)[C@H](C(=O)OCC)C[C@H]1CCCN12.
What is the InChIKey of ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate?
The InChIKey is JVWYETQZISRLNA-IIMJZQEZSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-11-21-17-10-6-5-9-15(17)20(19(21)24)16(18(23)25-4-2)13-14-8-7-12-22(14)20/h3,5-6,9-10,14,16H,1,4,7-8,11-13H2,2H3/t14-,16+,20+/m1/s1.
What are the key properties of ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate?
ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,8R)-2'-oxo-1'-prop-2-enylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylate is sourced from PubChem (CID 94785525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).