(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one

C11H16O — CID 130826859

IUPAC(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
SMILESO=C1[C@H]2CC[C@H](C2)C12CCCC2
InChIInChI=1S/C11H16O/c12-10-8-3-4-9(7-8)11(10)5-1-2-6-11/h8-9H,1-7H2/t8-,9+/m0/s1
InChIKeyZYECBPXIFZTZEJ-DTWKUNHWSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds

About (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one

(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one (PubChem CID 130826859) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
PubChem CID130826859
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
SMILESO=C1[C@H]2CC[C@H](C2)C12CCCC2
InChIInChI=1S/C11H16O/c12-10-8-3-4-9(7-8)11(10)5-1-2-6-11/h8-9H,1-7H2/t8-,9+/m0/s1
InChIKeyZYECBPXIFZTZEJ-DTWKUNHWSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 98049650
3,3-dihydroxybicyclo[2.2.1]heptan-2-one
CID 130030712
3-methyl-3-propan-2-ylbicyclo[2.2.1]heptan-2-one
CID 164833317
(1R,2R,4S)-2-methyl-3-oxobicyclo[2.2.1]heptane-2-carbaldehyde
CID 15599975
(1S,5R,9R)-7-methylidenetricyclo[7.2.1.01,5]dodecan-12-one
CID 102595372
3-bromo-3-(methoxymethyl)bicyclo[2.2.1]heptan-2-one
CID 164667910
ethyl (1S,4R)-3-oxospiro[bicyclo[2.2.1]heptane-2,5'-cyclohexene]-1'-carboxylate
CID 164833339
(1R,4S)-3,3-bis(prop-2-enyl)bicyclo[2.2.1]heptan-2-one
CID 164833479
3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid
CID 175836658
(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one
CID 98134055
(1S,4R)-3-bromo-3-[difluoro(methylsulfanyl)methyl]bicyclo[2.2.1]heptan-2-one
CID 11781090
(1S,4S)-3,3-dibenzylbicyclo[2.2.1]heptan-2-one
CID 98516588

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one?
The IUPAC name of (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one (CID 130826859) is (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one.
What is the SMILES notation for (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one?
The canonical SMILES for (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one is O=C1[C@H]2CC[C@H](C2)C12CCCC2.
What is the InChIKey of (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one?
The InChIKey is ZYECBPXIFZTZEJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H16O/c12-10-8-3-4-9(7-8)11(10)5-1-2-6-11/h8-9H,1-7H2/t8-,9+/m0/s1.
What are the key properties of (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one?
(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one has a molecular weight of 164.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 130826859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).