(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one

C10H12O2 — CID 10773325

IUPAC(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one
SMILESO=C1CCC2(O1)[C@@H]1C=C[C@H]2CC1
InChIInChI=1S/C10H12O2/c11-9-5-6-10(12-9)7-1-2-8(10)4-3-7/h1-2,7-8H,3-6H2/t7-,8+,10?
InChIKeyYPGQYZGURSRUGK-JWHQNHQBSA-N
MW164.20 g/mol
LogP1.66
Rot. Bonds

About (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one

(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one (PubChem CID 10773325) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one.

Molecular Properties

Compound Name(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one
PubChem CID10773325
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one
SMILESO=C1CCC2(O1)[C@@H]1C=C[C@H]2CC1
InChIInChI=1S/C10H12O2/c11-9-5-6-10(12-9)7-1-2-8(10)4-3-7/h1-2,7-8H,3-6H2/t7-,8+,10?
InChIKeyYPGQYZGURSRUGK-JWHQNHQBSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-5-methyloxolan-2-one
CID 129281770
5-(1-bromoethyl)-5-methyloxolan-2-one
CID 130020859
5-(cyclobutylmethyl)-5-methyloxolan-2-one
CID 103439680
(3aR,10aR)-8-methyl-3,3a,4,5,6,6a,9,10-octahydrofuro[3,2-d]isoquinolin-2-one
CID 163950307
(1S,3R,6R)-7,7-dimethylspiro[bicyclo[4.1.0]heptane-3,5'-oxolane]-2'-one
CID 101200321
5,6,6-trimethyloxan-2-one
CID 20872380
(5S)-5-[(3S,3aR,5aR,9aR)-3a,6,6,9a-tetramethyl-7-oxo-2,3,4,5,5a,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-5-methyloxolan-2-one
CID 122473556
(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
CID 101145323
2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one
CID 24976789
6-butyl-1-methyl-2-oxabicyclo[4.1.0]heptan-3-one
CID 15455654
5,9,9-trimethyloxonan-2-one
CID 11148110
(5R,9R)-8,9-ditert-butyl-9-methyl-1-oxaspiro[4.4]nonan-2-one
CID 58756631

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one?
The IUPAC name of (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one (CID 10773325) is (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one.
What is the SMILES notation for (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one?
The canonical SMILES for (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one is O=C1CCC2(O1)[C@@H]1C=C[C@H]2CC1.
What is the InChIKey of (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one?
The InChIKey is YPGQYZGURSRUGK-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-5-6-10(12-9)7-1-2-8(10)4-3-7/h1-2,7-8H,3-6H2/t7-,8+,10?.
What are the key properties of (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one?
(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one has a molecular weight of 164.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one is sourced from PubChem (CID 10773325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).