methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate

C8H12O2 — CID 171036863

IUPACmethyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
SMILESCOC(=O)CC12CCC1C2
InChIInChI=1S/C8H12O2/c1-10-7(9)5-8-3-2-6(8)4-8/h6H,2-5H2,1H3
InChIKeyXOKRFVUQCCLDSL-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds2

About methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate

methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate (PubChem CID 171036863) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
PubChem CID171036863
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
SMILESCOC(=O)CC12CCC1C2
InChIInChI=1S/C8H12O2/c1-10-7(9)5-8-3-2-6(8)4-8/h6H,2-5H2,1H3
InChIKeyXOKRFVUQCCLDSL-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate?
The IUPAC name of methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate (CID 171036863) is methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate.
What is the SMILES notation for methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate?
The canonical SMILES for methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate is COC(=O)CC12CCC1C2.
What is the InChIKey of methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate?
The InChIKey is XOKRFVUQCCLDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-7(9)5-8-3-2-6(8)4-8/h6H,2-5H2,1H3.
What are the key properties of methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate?
methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate has a molecular weight of 140.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate is sourced from PubChem (CID 171036863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).