(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one

C10H14O — CID 95565105

IUPAC(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
SMILESO=C1C[C@@H]2CC[C@@H]3CC[C@H]1[C@@H]32
InChIInChI=1S/C10H14O/c11-9-5-7-2-1-6-3-4-8(9)10(6)7/h6-8,10H,1-5H2/t6-,7+,8-,10+/m1/s1
InChIKeyXEVIFVDDUHEJAP-JIOCBJNQSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one

(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one (PubChem CID 95565105) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one.

Molecular Properties

Compound Name(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
PubChem CID95565105
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
SMILESO=C1C[C@@H]2CC[C@@H]3CC[C@H]1[C@@H]32
InChIInChI=1S/C10H14O/c11-9-5-7-2-1-6-3-4-8(9)10(6)7/h6-8,10H,1-5H2/t6-,7+,8-,10+/m1/s1
InChIKeyXEVIFVDDUHEJAP-JIOCBJNQSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R,7R)-7-chlorobicyclo[2.2.1]heptan-2-one
CID 15262521
(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one
CID 15262519
7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one
CID 14488388
(1R,2R,5S,8S)-tricyclo[3.3.0.02,8]octan-3-one
CID 124707475
(1R,5S)-tricyclo[3.3.0.02,8]octan-3-one
CID 12546431
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
CID 24895078
(1S,4S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-one
CID 153281922
bicyclo[3.2.0]heptan-2-one
CID 543759
bicyclo[3.2.0]heptane-3,6-dione
CID 141109024
(1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
CID 95564885
(2R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
CID 90482458

Frequently Asked Questions

What is the IUPAC name of (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one?
The IUPAC name of (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one (CID 95565105) is (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one.
What is the SMILES notation for (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one?
The canonical SMILES for (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one is O=C1C[C@@H]2CC[C@@H]3CC[C@H]1[C@@H]32.
What is the InChIKey of (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one?
The InChIKey is XEVIFVDDUHEJAP-JIOCBJNQSA-N. The full InChI is InChI=1S/C10H14O/c11-9-5-7-2-1-6-3-4-8(9)10(6)7/h6-8,10H,1-5H2/t6-,7+,8-,10+/m1/s1.
What are the key properties of (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one?
(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one is sourced from PubChem (CID 95565105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).