1-pent-3-ynylcyclopenta-1,3-diene

C10H12 — CID 556571

IUPAC1-pent-3-ynylcyclopenta-1,3-diene
SMILESCC#CCCC1=CC=CC1
InChIInChI=1S/C10H12/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8H,4,7,9H2,1H3
InChIKeyKEOBYZGLICLHFA-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.68
Rot. Bonds2

About 1-pent-3-ynylcyclopenta-1,3-diene

1-pent-3-ynylcyclopenta-1,3-diene (PubChem CID 556571) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-pent-3-ynylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-pent-3-ynylcyclopenta-1,3-diene
PubChem CID556571
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1-pent-3-ynylcyclopenta-1,3-diene
SMILESCC#CCCC1=CC=CC1
InChIInChI=1S/C10H12/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8H,4,7,9H2,1H3
InChIKeyKEOBYZGLICLHFA-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-Cyclopentadiene, 1-propyl
CID 528171
3-Ethylidene-1-methyl-1-cyclopentene
CID 44005
Cyclopentene, 3-ethylidene-1-methyl-
CID 5368810
n-Butyl cyclopentadiene
CID 102598
1-Ethenyl-3-methylenecyclopentene
CID 562142
5-Pentylidenecyclopenta-1,3-diene
CID 11988485
(e)-3-Propylidenecyclopentene
CID 143261522
1,3-Cyclopentadiene, 2-butyl
CID 528174
5-(1-Methyl-pent-4-enylidene)-cyclopenta-1,3-diene
CID 12502067
(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
CID 10263693
1-Ethinylcyclohexa-1,3-diene
CID 10944644
Isopropenylcyclopentadiene
CID 12154751

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-ynylcyclopenta-1,3-diene?
The IUPAC name of 1-pent-3-ynylcyclopenta-1,3-diene (CID 556571) is 1-pent-3-ynylcyclopenta-1,3-diene.
What is the SMILES notation for 1-pent-3-ynylcyclopenta-1,3-diene?
The canonical SMILES for 1-pent-3-ynylcyclopenta-1,3-diene is CC#CCCC1=CC=CC1.
What is the InChIKey of 1-pent-3-ynylcyclopenta-1,3-diene?
The InChIKey is KEOBYZGLICLHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-2-3-4-7-10-8-5-6-9-10/h5-6,8H,4,7,9H2,1H3.
What are the key properties of 1-pent-3-ynylcyclopenta-1,3-diene?
1-pent-3-ynylcyclopenta-1,3-diene has a molecular weight of 132.21 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-ynylcyclopenta-1,3-diene is sourced from PubChem (CID 556571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).