1-pent-4-enylcyclopropene

C8H12 — CID 54394437

IUPAC1-pent-4-enylcyclopropene
SMILESC=CCCCC1=CC1
InChIInChI=1S/C8H12/c1-2-3-4-5-8-6-7-8/h2,6H,1,3-5,7H2
InChIKeyPXPHPNRKUJWOBQ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds4

About 1-pent-4-enylcyclopropene

1-pent-4-enylcyclopropene (PubChem CID 54394437) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-pent-4-enylcyclopropene.

Molecular Properties

Compound Name1-pent-4-enylcyclopropene
PubChem CID54394437
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-pent-4-enylcyclopropene
SMILESC=CCCCC1=CC1
InChIInChI=1S/C8H12/c1-2-3-4-5-8-6-7-8/h2,6H,1,3-5,7H2
InChIKeyPXPHPNRKUJWOBQ-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hex-5-enylcyclohexene
CID 123683483
1-hept-6-enylcyclohepta-1,3,5-triene
CID 144531199
3-hept-6-enylcyclopent-2-en-1-ol
CID 107010526
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
3-hept-6-enylcyclohex-2-en-1-ol
CID 107010524
1-methyl-4-pent-4-enylpyridin-1-ium
CID 59152861
2-pent-4-enylaniline
CID 57134945
2-but-3-enyl-7-pent-4-enyl-9H-fluorene
CID 139836987
2-hex-5-enyl-7-pent-4-enyl-9H-fluorene
CID 139836976
1,2,3,4-tetramethyl-5-pent-4-enylbenzene
CID 91583906
7-(cyclopropen-1-yl)-N-piperidin-1-ylheptan-1-imine
CID 86209276

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylcyclopropene?
The IUPAC name of 1-pent-4-enylcyclopropene (CID 54394437) is 1-pent-4-enylcyclopropene.
What is the SMILES notation for 1-pent-4-enylcyclopropene?
The canonical SMILES for 1-pent-4-enylcyclopropene is C=CCCCC1=CC1.
What is the InChIKey of 1-pent-4-enylcyclopropene?
The InChIKey is PXPHPNRKUJWOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-3-4-5-8-6-7-8/h2,6H,1,3-5,7H2.
What are the key properties of 1-pent-4-enylcyclopropene?
1-pent-4-enylcyclopropene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylcyclopropene is sourced from PubChem (CID 54394437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).