methyl 2-(2-cyanocyclopentylidene)acetate

C9H11NO2 — CID 70133524

IUPACmethyl 2-(2-cyanocyclopentylidene)acetate
SMILESCOC(=O)C=C1CCCC1C#N
InChIInChI=1S/C9H11NO2/c1-12-9(11)5-7-3-2-4-8(7)6-10/h5,8H,2-4H2,1H3
InChIKeyPZFDBKYMAIFYHX-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.41
Rot. Bonds1

About methyl 2-(2-cyanocyclopentylidene)acetate

methyl 2-(2-cyanocyclopentylidene)acetate (PubChem CID 70133524) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2-(2-cyanocyclopentylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyanocyclopentylidene)acetate
PubChem CID70133524
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2-(2-cyanocyclopentylidene)acetate
SMILESCOC(=O)C=C1CCCC1C#N
InChIInChI=1S/C9H11NO2/c1-12-9(11)5-7-3-2-4-8(7)6-10/h5,8H,2-4H2,1H3
InChIKeyPZFDBKYMAIFYHX-UHFFFAOYSA-N
XLogP1.41
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-cyanocyclopentylidene)acetate?
The IUPAC name of methyl 2-(2-cyanocyclopentylidene)acetate (CID 70133524) is methyl 2-(2-cyanocyclopentylidene)acetate.
What is the SMILES notation for methyl 2-(2-cyanocyclopentylidene)acetate?
The canonical SMILES for methyl 2-(2-cyanocyclopentylidene)acetate is COC(=O)C=C1CCCC1C#N.
What is the InChIKey of methyl 2-(2-cyanocyclopentylidene)acetate?
The InChIKey is PZFDBKYMAIFYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-12-9(11)5-7-3-2-4-8(7)6-10/h5,8H,2-4H2,1H3.
What are the key properties of methyl 2-(2-cyanocyclopentylidene)acetate?
methyl 2-(2-cyanocyclopentylidene)acetate has a molecular weight of 165.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyanocyclopentylidene)acetate is sourced from PubChem (CID 70133524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).