(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate

C10H13ClO2 — CID 88609876

IUPAC(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate
SMILESCC12CCC(C=C1OC(=O)CCl)C2
InChIInChI=1S/C10H13ClO2/c1-10-3-2-7(5-10)4-8(10)13-9(12)6-11/h4,7H,2-3,5-6H2,1H3
InChIKeyQMDNDHWMVHJTLZ-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.47
Rot. Bonds2

About (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate

(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate (PubChem CID 88609876) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate.

Molecular Properties

Compound Name(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate
PubChem CID88609876
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate
SMILESCC12CCC(C=C1OC(=O)CCl)C2
InChIInChI=1S/C10H13ClO2/c1-10-3-2-7(5-10)4-8(10)13-9(12)6-11/h4,7H,2-3,5-6H2,1H3
InChIKeyQMDNDHWMVHJTLZ-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate?
The IUPAC name of (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate (CID 88609876) is (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate.
What is the SMILES notation for (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate?
The canonical SMILES for (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate is CC12CCC(C=C1OC(=O)CCl)C2.
What is the InChIKey of (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate?
The InChIKey is QMDNDHWMVHJTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-10-3-2-7(5-10)4-8(10)13-9(12)6-11/h4,7H,2-3,5-6H2,1H3.
What are the key properties of (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate?
(1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate has a molecular weight of 200.66 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-bicyclo[2.2.1]hept-2-enyl) 2-chloroacetate is sourced from PubChem (CID 88609876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).