prop-1-ynylcyclopentane

C8H11- — CID 20764675

IUPACprop-1-ynylcyclopentane
SMILES[CH2-]C#CC1CCCC1
InChIInChI=1S/C8H11/c1-2-5-8-6-3-4-7-8/h8H,1,3-4,6-7H2/q-1
InChIKeySBTGSFKMPMAVHF-UHFFFAOYSA-N
MW107.18 g/mol
LogP2.01
Rot. Bonds

About prop-1-ynylcyclopentane

prop-1-ynylcyclopentane (PubChem CID 20764675) has the molecular formula C8H11- and a molecular weight of 107.18 g/mol. Its IUPAC name is prop-1-ynylcyclopentane.

Molecular Properties

Compound Nameprop-1-ynylcyclopentane
PubChem CID20764675
Molecular FormulaC8H11-
Molecular Weight107.18 g/mol
Exact Mass107.09
IUPAC Nameprop-1-ynylcyclopentane
SMILES[CH2-]C#CC1CCCC1
InChIInChI=1S/C8H11/c1-2-5-8-6-3-4-7-8/h8H,1,3-4,6-7H2/q-1
InChIKeySBTGSFKMPMAVHF-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-1-ynylcyclododecane
CID 141054951
lithium 2-cyclohexylethynolate
CID 23667969
5-cyclopentylpenta-2,4-diyne-1-thiol
CID 169079490
but-3-en-1-ynylcyclohexane
CID 10931474
3,3,3-trifluoroprop-1-ynylcyclohexane
CID 91536674
tricyclohexyl(2-cyclopentylethynyl)boranuide
CID 135048863
cyclohexylmethylidyneborane
CID 159011895
cyclooctanecarbonitrile
CID 13075060
[(E)-hex-3-en-1-ynyl]cyclopentane
CID 163810964
4-cyclohexylbut-3-ynal
CID 22058805
4-prop-1-ynylcyclododecan-1-ol
CID 141054947
cyclohexanecarbonitrile;hydrochloride
CID 141135021

Frequently Asked Questions

What is the IUPAC name of prop-1-ynylcyclopentane?
The IUPAC name of prop-1-ynylcyclopentane (CID 20764675) is prop-1-ynylcyclopentane.
What is the SMILES notation for prop-1-ynylcyclopentane?
The canonical SMILES for prop-1-ynylcyclopentane is [CH2-]C#CC1CCCC1.
What is the InChIKey of prop-1-ynylcyclopentane?
The InChIKey is SBTGSFKMPMAVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11/c1-2-5-8-6-3-4-7-8/h8H,1,3-4,6-7H2/q-1.
What are the key properties of prop-1-ynylcyclopentane?
prop-1-ynylcyclopentane has a molecular weight of 107.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ynylcyclopentane is sourced from PubChem (CID 20764675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).