(1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]

C10H14O — CID 130305719

IUPAC(1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
SMILESC1=C[C@H]2CC1C1(CCOC1)C2
InChIInChI=1S/C10H14O/c1-2-9-5-8(1)6-10(9)3-4-11-7-10/h1-2,8-9H,3-7H2/t8-,9?,10?/m0/s1
InChIKeyADGFFIZOXFROQT-IDKOKCKLSA-N
MW150.22 g/mol
LogP1.99
Rot. Bonds

About (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]

(1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] (PubChem CID 130305719) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane].

Molecular Properties

Compound Name(1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
PubChem CID130305719
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
SMILESC1=C[C@H]2CC1C1(CCOC1)C2
InChIInChI=1S/C10H14O/c1-2-9-5-8(1)6-10(9)3-4-11-7-10/h1-2,8-9H,3-7H2/t8-,9?,10?/m0/s1
InChIKeyADGFFIZOXFROQT-IDKOKCKLSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

spiro[bicyclo[2.2.1]hept-2-ene-5,4'-cyclopentene]
CID 141269343
(1'S,4'S)-2-(4-chlorophenyl)spiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 11150082
2,3-dihydrofuran;3,4-dihydro-2H-pyran;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
CID 160833031
(2R,3R)-2-(bromomethyl)-5-oxaspiro[2.4]heptane
CID 129372240
[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
CID 124508591
3'-(bromomethyl)spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane]
CID 86213224
[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 15193955
2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
CID 91139857
2-aminobicyclo[2.2.1]hept-5-en-2-ol
CID 89311191
2-isocyanato-5-oxaspiro[2.4]heptane
CID 83826219
(1R,2S,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 102497052
2,9-dioxaspiro[5.5]undecan-5-ylmethanamine
CID 82406105

Frequently Asked Questions

What is the IUPAC name of (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The IUPAC name of (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] (CID 130305719) is (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane].
What is the SMILES notation for (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The canonical SMILES for (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] is C1=C[C@H]2CC1C1(CCOC1)C2.
What is the InChIKey of (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The InChIKey is ADGFFIZOXFROQT-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H14O/c1-2-9-5-8(1)6-10(9)3-4-11-7-10/h1-2,8-9H,3-7H2/t8-,9?,10?/m0/s1.
What are the key properties of (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
(1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] has a molecular weight of 150.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] is sourced from PubChem (CID 130305719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).