tricyclo[3.3.1.01,4]nonane

C9H14 — CID 90787588

IUPACtricyclo[3.3.1.01,4]nonane
SMILESC1CC2CC3(C1)CCC23
InChIInChI=1S/C9H14/c1-2-7-6-9(4-1)5-3-8(7)9/h7-8H,1-6H2
InChIKeyMFWXYIPKPOYIHE-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.59
Rot. Bonds

About tricyclo[3.3.1.01,4]nonane

tricyclo[3.3.1.01,4]nonane (PubChem CID 90787588) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is tricyclo[3.3.1.01,4]nonane.

Molecular Properties

Compound Nametricyclo[3.3.1.01,4]nonane
PubChem CID90787588
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Nametricyclo[3.3.1.01,4]nonane
SMILESC1CC2CC3(C1)CCC23
InChIInChI=1S/C9H14/c1-2-7-6-9(4-1)5-3-8(7)9/h7-8H,1-6H2
InChIKeyMFWXYIPKPOYIHE-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tricyclo[3.2.1.01,4]octane
CID 90707927
2-cyclobutylspiro[2.4]heptane
CID 148790584
10-(3,3-dimethylcyclohexyl)spiro[4.5]decane
CID 90804483
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane
CID 173063113
(3R,4aR,8aS)-3-methylspiro[2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-8,1'-cyclohexane]
CID 58376158
(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 162875339
tetracyclo[5.2.1.01,5.04,8]decane
CID 123672107
1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane
CID 123877487
spiro[bicyclo[4.1.0]heptane-2,3'-piperidine]
CID 83873409
(2,3,4,5,6-pentafluorophenyl)-[3-(4-propylcyclohexyl)spiro[3.5]nonan-8-yl]methanone
CID 90896577
(4aS,7S)-7-ethoxy-4,4,7-trimethyl-1,2,3,4a,5,6,8,8a-octahydronaphthalene
CID 176561000

Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.1.01,4]nonane?
The IUPAC name of tricyclo[3.3.1.01,4]nonane (CID 90787588) is tricyclo[3.3.1.01,4]nonane.
What is the SMILES notation for tricyclo[3.3.1.01,4]nonane?
The canonical SMILES for tricyclo[3.3.1.01,4]nonane is C1CC2CC3(C1)CCC23.
What is the InChIKey of tricyclo[3.3.1.01,4]nonane?
The InChIKey is MFWXYIPKPOYIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-7-6-9(4-1)5-3-8(7)9/h7-8H,1-6H2.
What are the key properties of tricyclo[3.3.1.01,4]nonane?
tricyclo[3.3.1.01,4]nonane has a molecular weight of 122.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.1.01,4]nonane is sourced from PubChem (CID 90787588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).