1-penta-1,4-dienylcyclopropene

C8H10 — CID 123234042

IUPAC1-penta-1,4-dienylcyclopropene
SMILESC=CCC=CC1=CC1
InChIInChI=1S/C8H10/c1-2-3-4-5-8-6-7-8/h2,4-6H,1,3,7H2
InChIKeyUSCAIVAXGQSNOT-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.45
Rot. Bonds3

About 1-penta-1,4-dienylcyclopropene

1-penta-1,4-dienylcyclopropene (PubChem CID 123234042) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 1-penta-1,4-dienylcyclopropene.

Molecular Properties

Compound Name1-penta-1,4-dienylcyclopropene
PubChem CID123234042
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name1-penta-1,4-dienylcyclopropene
SMILESC=CCC=CC1=CC1
InChIInChI=1S/C8H10/c1-2-3-4-5-8-6-7-8/h2,4-6H,1,3,7H2
InChIKeyUSCAIVAXGQSNOT-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyprop-1-enyl)cyclopropene
CID 90887597
4-penta-1,4-dienylaniline
CID 67805636
1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene
CID 163586300
2-penta-1,4-dienylpyridine
CID 66927735
(1E)-1-fluoropenta-1,4-diene
CID 87196328
hexa-1,4-diene
CID 163631115
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hexa-1,4-diene
CID 174908546
6-iodohexa-1,4-diene
CID 73158271
hexa-1,4-diene;hydrate
CID 162019515
1-pent-4-enylcyclopropene
CID 54394437
1-penta-1,4-dienylanthracene
CID 173210436
1-penta-1,4-dienylphenanthrene
CID 173210444

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dienylcyclopropene?
The IUPAC name of 1-penta-1,4-dienylcyclopropene (CID 123234042) is 1-penta-1,4-dienylcyclopropene.
What is the SMILES notation for 1-penta-1,4-dienylcyclopropene?
The canonical SMILES for 1-penta-1,4-dienylcyclopropene is C=CCC=CC1=CC1.
What is the InChIKey of 1-penta-1,4-dienylcyclopropene?
The InChIKey is USCAIVAXGQSNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-3-4-5-8-6-7-8/h2,4-6H,1,3,7H2.
What are the key properties of 1-penta-1,4-dienylcyclopropene?
1-penta-1,4-dienylcyclopropene has a molecular weight of 106.17 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dienylcyclopropene is sourced from PubChem (CID 123234042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).