(5-methylidenecyclopenta-1,3-dien-1-yl) acetate

C8H8O2 — CID 154283132

IUPAC(5-methylidenecyclopenta-1,3-dien-1-yl) acetate
SMILESC=C1C=CC=C1OC(C)=O
InChIInChI=1S/C8H8O2/c1-6-4-3-5-8(6)10-7(2)9/h3-5H,1H2,2H3
InChIKeyJSTFZRRLJFEFIP-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.56
Rot. Bonds1

About (5-methylidenecyclopenta-1,3-dien-1-yl) acetate

(5-methylidenecyclopenta-1,3-dien-1-yl) acetate (PubChem CID 154283132) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (5-methylidenecyclopenta-1,3-dien-1-yl) acetate.

Molecular Properties

Compound Name(5-methylidenecyclopenta-1,3-dien-1-yl) acetate
PubChem CID154283132
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(5-methylidenecyclopenta-1,3-dien-1-yl) acetate
SMILESC=C1C=CC=C1OC(C)=O
InChIInChI=1S/C8H8O2/c1-6-4-3-5-8(6)10-7(2)9/h3-5H,1H2,2H3
InChIKeyJSTFZRRLJFEFIP-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-methylidenecyclopenta-1,3-dien-1-yl) 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 (5-methylidenecyclopenta-1,3-dien-1-yl) acetate?
The IUPAC name of (5-methylidenecyclopenta-1,3-dien-1-yl) acetate (CID 154283132) is (5-methylidenecyclopenta-1,3-dien-1-yl) acetate.
What is the SMILES notation for (5-methylidenecyclopenta-1,3-dien-1-yl) acetate?
The canonical SMILES for (5-methylidenecyclopenta-1,3-dien-1-yl) acetate is C=C1C=CC=C1OC(C)=O.
What is the InChIKey of (5-methylidenecyclopenta-1,3-dien-1-yl) acetate?
The InChIKey is JSTFZRRLJFEFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6-4-3-5-8(6)10-7(2)9/h3-5H,1H2,2H3.
What are the key properties of (5-methylidenecyclopenta-1,3-dien-1-yl) acetate?
(5-methylidenecyclopenta-1,3-dien-1-yl) acetate has a molecular weight of 136.15 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylidenecyclopenta-1,3-dien-1-yl) acetate is sourced from PubChem (CID 154283132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).