2-ethynyl-1-methyl-3-propan-2-ylcyclopentene

C11H16 — CID 14565314

IUPAC2-ethynyl-1-methyl-3-propan-2-ylcyclopentene
SMILESC#CC1=C(C)CCC1C(C)C
InChIInChI=1S/C11H16/c1-5-10-9(4)6-7-11(10)8(2)3/h1,8,11H,6-7H2,2-4H3
InChIKeyQLOGBSKTMBHIFH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds1

About 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene

2-ethynyl-1-methyl-3-propan-2-ylcyclopentene (PubChem CID 14565314) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene.

Molecular Properties

Compound Name2-ethynyl-1-methyl-3-propan-2-ylcyclopentene
PubChem CID14565314
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-ethynyl-1-methyl-3-propan-2-ylcyclopentene
SMILESC#CC1=C(C)CCC1C(C)C
InChIInChI=1S/C11H16/c1-5-10-9(4)6-7-11(10)8(2)3/h1,8,11H,6-7H2,2-4H3
InChIKeyQLOGBSKTMBHIFH-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene 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 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene?
The IUPAC name of 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene (CID 14565314) is 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene.
What is the SMILES notation for 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene?
The canonical SMILES for 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene is C#CC1=C(C)CCC1C(C)C.
What is the InChIKey of 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene?
The InChIKey is QLOGBSKTMBHIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-10-9(4)6-7-11(10)8(2)3/h1,8,11H,6-7H2,2-4H3.
What are the key properties of 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene?
2-ethynyl-1-methyl-3-propan-2-ylcyclopentene has a molecular weight of 148.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-1-methyl-3-propan-2-ylcyclopentene is sourced from PubChem (CID 14565314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).