2-prop-2-enylbicyclo[3.2.1]octan-3-one

C11H16O — CID 121217199

IUPAC2-prop-2-enylbicyclo[3.2.1]octan-3-one
SMILESC=CCC1C(=O)CC2CCC1C2
InChIInChI=1S/C11H16O/c1-2-3-10-9-5-4-8(6-9)7-11(10)12/h2,8-10H,1,3-7H2
InChIKeyVSZSSJURNKULBP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds2

About 2-prop-2-enylbicyclo[3.2.1]octan-3-one

2-prop-2-enylbicyclo[3.2.1]octan-3-one (PubChem CID 121217199) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-prop-2-enylbicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name2-prop-2-enylbicyclo[3.2.1]octan-3-one
PubChem CID121217199
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-prop-2-enylbicyclo[3.2.1]octan-3-one
SMILESC=CCC1C(=O)CC2CCC1C2
InChIInChI=1S/C11H16O/c1-2-3-10-9-5-4-8(6-9)7-11(10)12/h2,8-10H,1,3-7H2
InChIKeyVSZSSJURNKULBP-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aR,6aR)-1-prop-2-enyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 130914773
(1S,2R)-2-pent-4-enylbicyclo[3.1.0]hexan-3-one
CID 129014256
1,3-bis(prop-2-enyl)bicyclo[2.2.1]heptan-2-one
CID 123772845
2-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
CID 70630753
4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione
CID 85157533
cis-(2R,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
CID 101144207
trans-(2S,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
CID 134987535
(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
CID 122176743
(3S)-3-ethyl-2-prop-2-enylcyclohexan-1-one
CID 91162357
2-(hydroxymethyl)-4-prop-2-enylcyclohexan-1-one
CID 70414469
1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
CID 102261355

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylbicyclo[3.2.1]octan-3-one?
The IUPAC name of 2-prop-2-enylbicyclo[3.2.1]octan-3-one (CID 121217199) is 2-prop-2-enylbicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 2-prop-2-enylbicyclo[3.2.1]octan-3-one?
The canonical SMILES for 2-prop-2-enylbicyclo[3.2.1]octan-3-one is C=CCC1C(=O)CC2CCC1C2.
What is the InChIKey of 2-prop-2-enylbicyclo[3.2.1]octan-3-one?
The InChIKey is VSZSSJURNKULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-10-9-5-4-8(6-9)7-11(10)12/h2,8-10H,1,3-7H2.
What are the key properties of 2-prop-2-enylbicyclo[3.2.1]octan-3-one?
2-prop-2-enylbicyclo[3.2.1]octan-3-one has a molecular weight of 164.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 121217199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).