6-prop-1-enylbicyclo[3.1.0]hexan-2-one

C9H12O — CID 556486

IUPAC6-prop-1-enylbicyclo[3.1.0]hexan-2-one
SMILESCC=CC1C2CCC(=O)C12
InChIInChI=1S/C9H12O/c1-2-3-6-7-4-5-8(10)9(6)7/h2-3,6-7,9H,4-5H2,1H3
InChIKeyNREINIKOQZTJNA-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.79
Rot. Bonds1

About 6-prop-1-enylbicyclo[3.1.0]hexan-2-one

6-prop-1-enylbicyclo[3.1.0]hexan-2-one (PubChem CID 556486) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 6-prop-1-enylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-prop-1-enylbicyclo[3.1.0]hexan-2-one
PubChem CID556486
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name6-prop-1-enylbicyclo[3.1.0]hexan-2-one
SMILESCC=CC1C2CCC(=O)C12
InChIInChI=1S/C9H12O/c1-2-3-6-7-4-5-8(10)9(6)7/h2-3,6-7,9H,4-5H2,1H3
InChIKeyNREINIKOQZTJNA-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-1-enylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-prop-1-enylbicyclo[3.1.0]hexan-2-one (CID 556486) is 6-prop-1-enylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-prop-1-enylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-prop-1-enylbicyclo[3.1.0]hexan-2-one is CC=CC1C2CCC(=O)C12.
What is the InChIKey of 6-prop-1-enylbicyclo[3.1.0]hexan-2-one?
The InChIKey is NREINIKOQZTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-3-6-7-4-5-8(10)9(6)7/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 6-prop-1-enylbicyclo[3.1.0]hexan-2-one?
6-prop-1-enylbicyclo[3.1.0]hexan-2-one has a molecular weight of 136.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-enylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 556486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).