(1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one

C10H13NO — CID 100933181

IUPAC(1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one
SMILESO=C1NCC[C@]12C[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H13NO/c12-9-10(3-4-11-9)6-7-1-2-8(10)5-7/h1-2,7-8H,3-6H2,(H,11,12)/t7-,8+,10-/m1/s1
InChIKeyIEVXRJSJDZQBJF-KHQFGBGNSA-N
MW163.22 g/mol
LogP1.09
Rot. Bonds

About (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one

(1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one (PubChem CID 100933181) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name(1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one
PubChem CID100933181
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one
SMILESO=C1NCC[C@]12C[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H13NO/c12-9-10(3-4-11-9)6-7-1-2-8(10)5-7/h1-2,7-8H,3-6H2,(H,11,12)/t7-,8+,10-/m1/s1
InChIKeyIEVXRJSJDZQBJF-KHQFGBGNSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R,4R)-2-N-pentyl-3-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495073
(1R,2R,3R,4S)-3-N-(4-oxopentyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495408
(1S,2R,3R,4R)-2-N-(5-oxohexyl)-3-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495569
(1S,2R,3R,4R)-2-N-butyl-3-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495594
(1R,2R,3R,4S)-3-N-(2-ethylbutyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495656
(1R,2R,3R,4S)-3-N-(cyclohexylmethyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495699
(1R,2R,3R,4S)-3-N-(3-methylbutyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67496253
(1R,2R,3R,4S)-3-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67496263
N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 62268447
(1S,4R)-3-N-[4-(3,3-difluoropyrrolidin-1-yl)butyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 66820034
N-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 275566
N-(2-fluoroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 130626747

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one?
The IUPAC name of (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one (CID 100933181) is (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one.
What is the SMILES notation for (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one?
The canonical SMILES for (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one is O=C1NCC[C@]12C[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one?
The InChIKey is IEVXRJSJDZQBJF-KHQFGBGNSA-N. The full InChI is InChI=1S/C10H13NO/c12-9-10(3-4-11-9)6-7-1-2-8(10)5-7/h1-2,7-8H,3-6H2,(H,11,12)/t7-,8+,10-/m1/s1.
What are the key properties of (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one?
(1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one has a molecular weight of 163.22 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 100933181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).