methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate

C9H11ClO2 — CID 13269301

IUPACmethyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate
SMILESCOC(=O)C(Cl)=C1C2CCCC12
InChIInChI=1S/C9H11ClO2/c1-12-9(11)8(10)7-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyIAKQPJLTSCNTRI-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.08
Rot. Bonds1

About methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate

methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate (PubChem CID 13269301) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate.

Molecular Properties

Compound Namemethyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate
PubChem CID13269301
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Namemethyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate
SMILESCOC(=O)C(Cl)=C1C2CCCC12
InChIInChI=1S/C9H11ClO2/c1-12-9(11)8(10)7-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyIAKQPJLTSCNTRI-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate?
The IUPAC name of methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate (CID 13269301) is methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate.
What is the SMILES notation for methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate?
The canonical SMILES for methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate is COC(=O)C(Cl)=C1C2CCCC12.
What is the InChIKey of methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate?
The InChIKey is IAKQPJLTSCNTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-12-9(11)8(10)7-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3.
What are the key properties of methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate?
methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate has a molecular weight of 186.64 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bicyclo[3.1.0]hexanylidene)-2-chloroacetate is sourced from PubChem (CID 13269301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).