2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol

C9H6O — CID 45079125

IUPAC2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol
SMILESC#CC1=CC=CC1=C=CO
InChIInChI=1S/C9H6O/c1-2-8-4-3-5-9(8)6-7-10/h1,3-5,7,10H
InChIKeyNRJDOSCXHBMCIK-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.71
Rot. Bonds

About 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol

2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol (PubChem CID 45079125) has the molecular formula C9H6O and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol.

Molecular Properties

Compound Name2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol
PubChem CID45079125
Molecular FormulaC9H6O
Molecular Weight130.15 g/mol
Exact Mass130.04
IUPAC Name2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol
SMILESC#CC1=CC=CC1=C=CO
InChIInChI=1S/C9H6O/c1-2-8-4-3-5-9(8)6-7-10/h1,3-5,7,10H
InChIKeyNRJDOSCXHBMCIK-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-7-fluoro-4-methylideneocta-5,7-dien-2-yn-1-ol
CID 89722229
(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol
CID 170789294
(E)-(2-ethynylcyclopenta-2,4-dien-1-ylidene)methanolate
CID 138976419
3-Cyclohexa-1,5-dien-1-ylprop-2-yn-1-ol
CID 15965698
3-Phenylprop-2-yn-1-ol;tungsten
CID 57940241
(4E)-4-[2-(3-hydroxyprop-1-ynyl)cyclopent-2-en-1-ylidene]but-2-yn-1-ol
CID 88516049
4-[2-(3-Hydroxyprop-1-ynyl)cyclopent-2-en-1-ylidene]but-2-yn-1-ol
CID 88516050
3-Cyclohexa-1,5-dien-1-ylprop-2-yn-1-ol;ethane
CID 143442140
Acetylene;ethanol;1-methylcyclopenta-1,3-diene
CID 174818884
3-(Cyclohexa-1,3-dien-1-yl)prop-2-yn-1-ol
CID 71446282
3-Cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
CID 101337605
4-Cyclohexa-1,3-dien-1-ylbut-3-yn-1-ol
CID 102152820

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol?
The IUPAC name of 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol (CID 45079125) is 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol.
What is the SMILES notation for 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol?
The canonical SMILES for 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol is C#CC1=CC=CC1=C=CO.
What is the InChIKey of 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol?
The InChIKey is NRJDOSCXHBMCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O/c1-2-8-4-3-5-9(8)6-7-10/h1,3-5,7,10H.
What are the key properties of 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol?
2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol has a molecular weight of 130.15 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylcyclopenta-2,4-dien-1-ylidene)ethenol is sourced from PubChem (CID 45079125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).