(1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one

C10H14O — CID 10630681

IUPAC(1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one
SMILESO=C1C[C@@H]2C[C@H]1C1(CCC1)C2
InChIInChI=1S/C10H14O/c11-9-5-7-4-8(9)10(6-7)2-1-3-10/h7-8H,1-6H2/t7-,8+/m0/s1
InChIKeyCTZJAIDOJUPCDJ-JGVFFNPUSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds

About (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one

(1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one (PubChem CID 10630681) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name(1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one
PubChem CID10630681
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one
SMILESO=C1C[C@@H]2C[C@H]1C1(CCC1)C2
InChIInChI=1S/C10H14O/c11-9-5-7-4-8(9)10(6-7)2-1-3-10/h7-8H,1-6H2/t7-,8+/m0/s1
InChIKeyCTZJAIDOJUPCDJ-JGVFFNPUSA-N
XLogP2.16
TPSA17.07 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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1'S,4'R)-spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]heptane]-2'-one
CID 131162623
1-bromotricyclo[3.2.1.02,7]octan-3-one
CID 131859974
7,7-dimethylbicyclo[3.3.1]nonan-3-one
CID 118703373
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
2-(1-adamantyl)-5,5-dimethylcyclohexane-1,3-dione
CID 12021695
(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one
CID 23258337
10-methylspiro[4.5]decan-8-one
CID 11116421
1-(phosphanylamino)tricyclo[4.3.1.13,8]undecan-4-one
CID 71042724
tricyclo[6.3.1.01,6]dodecan-9-one
CID 130036870
(2R)-spiro[2.3]hexan-2-amine
CID 124508890
spiro[2.3]hexan-2-amine
CID 55289803
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one?
The IUPAC name of (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one (CID 10630681) is (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one.
What is the SMILES notation for (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one?
The canonical SMILES for (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one is O=C1C[C@@H]2C[C@H]1C1(CCC1)C2.
What is the InChIKey of (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one?
The InChIKey is CTZJAIDOJUPCDJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14O/c11-9-5-7-4-8(9)10(6-7)2-1-3-10/h7-8H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one?
(1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one has a molecular weight of 150.22 g/mol, XLogP of 2.16, 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-6,1'-cyclobutane]-2-one is sourced from PubChem (CID 10630681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).