(1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one

C12H18N2O — CID 175675555

IUPAC(1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one
SMILESCCC1=C[C@@H]2[C@](N)(C1)C[C@@]21CNC(=O)C1
InChIInChI=1S/C12H18N2O/c1-2-8-3-9-11(5-10(15)14-7-11)6-12(9,13)4-8/h3,9H,2,4-7,13H2,1H3,(H,14,15)/t9-,11-,12-/m0/s1
InChIKeyRDKRSVXQWLEKAV-DLOVCJGASA-N
MW206.29 g/mol
LogP0.95
Rot. Bonds1

About (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one

(1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one (PubChem CID 175675555) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name(1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one
PubChem CID175675555
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one
SMILESCCC1=C[C@@H]2[C@](N)(C1)C[C@@]21CNC(=O)C1
InChIInChI=1S/C12H18N2O/c1-2-8-3-9-11(5-10(15)14-7-11)6-12(9,13)4-8/h3,9H,2,4-7,13H2,1H3,(H,14,15)/t9-,11-,12-/m0/s1
InChIKeyRDKRSVXQWLEKAV-DLOVCJGASA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one?
The IUPAC name of (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one (CID 175675555) is (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one.
What is the SMILES notation for (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one?
The canonical SMILES for (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one is CCC1=C[C@@H]2[C@](N)(C1)C[C@@]21CNC(=O)C1.
What is the InChIKey of (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one?
The InChIKey is RDKRSVXQWLEKAV-DLOVCJGASA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-8-3-9-11(5-10(15)14-7-11)6-12(9,13)4-8/h3,9H,2,4-7,13H2,1H3,(H,14,15)/t9-,11-,12-/m0/s1.
What are the key properties of (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one?
(1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one has a molecular weight of 206.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 175675555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).