1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one

C10H14O — CID 115781074

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1C2CCCC21
InChIInChI=1S/C10H14O/c1-6(2)10(11)9-7-4-3-5-8(7)9/h7-9H,1,3-5H2,2H3
InChIKeyBVNJJLRTJHFOSJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds2

About 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one

1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one (PubChem CID 115781074) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one
PubChem CID115781074
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1C2CCCC21
InChIInChI=1S/C10H14O/c1-6(2)10(11)9-7-4-3-5-8(7)9/h7-9H,1,3-5H2,2H3
InChIKeyBVNJJLRTJHFOSJ-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one (CID 115781074) is 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one is C=C(C)C(=O)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one?
The InChIKey is BVNJJLRTJHFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-6(2)10(11)9-7-4-3-5-8(7)9/h7-9H,1,3-5H2,2H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one?
1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 115781074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).