methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate

C11H16O2 — CID 5374717

IUPACmethyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate
SMILESC=C(C)C1CCC/C1=C\C(=O)OC
InChIInChI=1S/C11H16O2/c1-8(2)10-6-4-5-9(10)7-11(12)13-3/h7,10H,1,4-6H2,2-3H3/b9-7+
InChIKeyHZZBTVOUGFOQSZ-VQHVLOKHSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds2

About methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate

methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate (PubChem CID 5374717) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate
PubChem CID5374717
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate
SMILESC=C(C)C1CCC/C1=C\C(=O)OC
InChIInChI=1S/C11H16O2/c1-8(2)10-6-4-5-9(10)7-11(12)13-3/h7,10H,1,4-6H2,2-3H3/b9-7+
InChIKeyHZZBTVOUGFOQSZ-VQHVLOKHSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate?
The IUPAC name of methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate (CID 5374717) is methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate?
The canonical SMILES for methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate is C=C(C)C1CCC/C1=C\C(=O)OC.
What is the InChIKey of methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate?
The InChIKey is HZZBTVOUGFOQSZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)10-6-4-5-9(10)7-11(12)13-3/h7,10H,1,4-6H2,2-3H3/b9-7+.
What are the key properties of methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate?
methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate has a molecular weight of 180.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(2-prop-1-en-2-ylcyclopentylidene)acetate is sourced from PubChem (CID 5374717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).