(1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one

C10H14O — CID 134922042

IUPAC(1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one
SMILESC=C(C)[C@]12CCC[C@H]1CC2=O
InChIInChI=1S/C10H14O/c1-7(2)10-5-3-4-8(10)6-9(10)11/h8H,1,3-6H2,2H3/t8-,10+/m0/s1
InChIKeyXEQBTGJVBJNSNM-WCBMZHEXSA-N
MW150.22 g/mol
LogP2.32
Rot. Bonds1

About (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one

(1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one (PubChem CID 134922042) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one
PubChem CID134922042
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one
SMILESC=C(C)[C@]12CCC[C@H]1CC2=O
InChIInChI=1S/C10H14O/c1-7(2)10-5-3-4-8(10)6-9(10)11/h8H,1,3-6H2,2H3/t8-,10+/m0/s1
InChIKeyXEQBTGJVBJNSNM-WCBMZHEXSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.32
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

(3S,3aR,6aS)-3-hydroxy-3-methyl-3a-nitro-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 15274624
(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one
CID 131856385
6a-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one
CID 13215924
7,7-bis(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-one
CID 150051827
tert-butyl 1-cyclooctyl-2-oxocyclooctane-1-carboxylate
CID 153438182
3a-methyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
CID 557031
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
tert-butyl 5-oxo-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene-9b-carboxylate
CID 102319397
7-methylidenebicyclo[3.2.0]heptan-1-ol
CID 131852208
3-methyl-6-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
CID 14414155
1-cyclohexyl-2-oxocyclohexane-1-carboxylic acid
CID 103574854
(1S,2R,6R,7S)-2-(hydroxymethyl)-2,6-dimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 10933063

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one (CID 134922042) is (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one is C=C(C)[C@]12CCC[C@H]1CC2=O.
What is the InChIKey of (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one?
The InChIKey is XEQBTGJVBJNSNM-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H14O/c1-7(2)10-5-3-4-8(10)6-9(10)11/h8H,1,3-6H2,2H3/t8-,10+/m0/s1.
What are the key properties of (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one?
(1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one has a molecular weight of 150.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-prop-1-en-2-ylbicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 134922042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).