acetylene;(5R)-5-methylcyclopent-2-en-1-one

C8H10O — CID 142013525

IUPACacetylene;(5R)-5-methylcyclopent-2-en-1-one
SMILESC#C.C[C@@H]1CC=CC1=O
InChIInChI=1S/C6H8O.C2H2/c1-5-3-2-4-6(5)7;1-2/h2,4-5H,3H2,1H3;1-2H/t5-;/m1./s1
InChIKeyYFIZMATYDJZHAK-NUBCRITNSA-N
MW122.17 g/mol
LogP1.40
Rot. Bonds

About acetylene;(5R)-5-methylcyclopent-2-en-1-one

acetylene;(5R)-5-methylcyclopent-2-en-1-one (PubChem CID 142013525) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is acetylene;(5R)-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Nameacetylene;(5R)-5-methylcyclopent-2-en-1-one
PubChem CID142013525
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Nameacetylene;(5R)-5-methylcyclopent-2-en-1-one
SMILESC#C.C[C@@H]1CC=CC1=O
InChIInChI=1S/C6H8O.C2H2/c1-5-3-2-4-6(5)7;1-2/h2,4-5H,3H2,1H3;1-2H/t5-;/m1./s1
InChIKeyYFIZMATYDJZHAK-NUBCRITNSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetylene;(5R)-5-methylcyclopent-2-en-1-one 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 acetylene;(5R)-5-methylcyclopent-2-en-1-one?
The IUPAC name of acetylene;(5R)-5-methylcyclopent-2-en-1-one (CID 142013525) is acetylene;(5R)-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for acetylene;(5R)-5-methylcyclopent-2-en-1-one?
The canonical SMILES for acetylene;(5R)-5-methylcyclopent-2-en-1-one is C#C.C[C@@H]1CC=CC1=O.
What is the InChIKey of acetylene;(5R)-5-methylcyclopent-2-en-1-one?
The InChIKey is YFIZMATYDJZHAK-NUBCRITNSA-N. The full InChI is InChI=1S/C6H8O.C2H2/c1-5-3-2-4-6(5)7;1-2/h2,4-5H,3H2,1H3;1-2H/t5-;/m1./s1.
What are the key properties of acetylene;(5R)-5-methylcyclopent-2-en-1-one?
acetylene;(5R)-5-methylcyclopent-2-en-1-one has a molecular weight of 122.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(5R)-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 142013525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).