1-cyclopropylcyclopentene

C8H12 — CID 21439250

IUPAC1-cyclopropylcyclopentene
SMILESC1=C(C2CC2)CCC1
InChIInChI=1S/C8H12/c1-2-4-7(3-1)8-5-6-8/h3,8H,1-2,4-6H2
InChIKeyDYXZJKIAFPNJKH-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.51
Rot. Bonds1

About 1-cyclopropylcyclopentene

1-cyclopropylcyclopentene (PubChem CID 21439250) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-cyclopropylcyclopentene.

Molecular Properties

Compound Name1-cyclopropylcyclopentene
PubChem CID21439250
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-cyclopropylcyclopentene
SMILESC1=C(C2CC2)CCC1
InChIInChI=1S/C8H12/c1-2-4-7(3-1)8-5-6-8/h3,8H,1-2,4-6H2
InChIKeyDYXZJKIAFPNJKH-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylcyclopentene?
The IUPAC name of 1-cyclopropylcyclopentene (CID 21439250) is 1-cyclopropylcyclopentene.
What is the SMILES notation for 1-cyclopropylcyclopentene?
The canonical SMILES for 1-cyclopropylcyclopentene is C1=C(C2CC2)CCC1.
What is the InChIKey of 1-cyclopropylcyclopentene?
The InChIKey is DYXZJKIAFPNJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-4-7(3-1)8-5-6-8/h3,8H,1-2,4-6H2.
What are the key properties of 1-cyclopropylcyclopentene?
1-cyclopropylcyclopentene has a molecular weight of 108.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylcyclopentene is sourced from PubChem (CID 21439250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).