(1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one

C10H14O2 — CID 97015786

IUPAC(1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one
SMILESO=C1[C@@H]2CCO[C@@H]2C12CCCC2
InChIInChI=1S/C10H14O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7,9H,1-6H2/t7-,9-/m0/s1
InChIKeyFNAOMPNFIBVSGB-CBAPKCEASA-N
MW166.22 g/mol
LogP1.53
Rot. Bonds

About (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one

(1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one (PubChem CID 97015786) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one.

Molecular Properties

Compound Name(1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one
PubChem CID97015786
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one
SMILESO=C1[C@@H]2CCO[C@@H]2C12CCCC2
InChIInChI=1S/C10H14O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7,9H,1-6H2/t7-,9-/m0/s1
InChIKeyFNAOMPNFIBVSGB-CBAPKCEASA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one
CID 71757064
(1S,5S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-one
CID 95240977
(1S,6S)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one
CID 92859662
methyl 2-oxo-2-[2-(6-oxo-7-phenyl-2-oxabicyclo[3.2.0]heptan-7-yl)cyclohexyl]acetate
CID 550586
(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
CID 130826859
3-(1-hydroxycyclopentyl)oxolan-2-one
CID 12664726
1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 158540944
(1R,8R,13S,20R)-3,6,15,18-tetraoxatricyclo[18.4.0.08,13]tetracosane-2,7,14,19-tetrone
CID 7052269
1-(oxolan-2-ylmethoxy)spiro[3.6]decan-3-one
CID 66368660
7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
CID 21464110
7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one
CID 130141503
[(E)-4-methoxy-5-[(1S,5R,7S)-6-oxo-7-phenyl-2-oxabicyclo[3.2.0]heptan-7-yl]pent-4-enyl] acetate
CID 10617420

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one?
The IUPAC name of (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one (CID 97015786) is (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one.
What is the SMILES notation for (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one?
The canonical SMILES for (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one is O=C1[C@@H]2CCO[C@@H]2C12CCCC2.
What is the InChIKey of (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one?
The InChIKey is FNAOMPNFIBVSGB-CBAPKCEASA-N. The full InChI is InChI=1S/C10H14O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7,9H,1-6H2/t7-,9-/m0/s1.
What are the key properties of (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one?
(1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one is sourced from PubChem (CID 97015786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).