4-cyclopropa-1,2-dien-1-ylcyclohexene

C9H10 — CID 163618559

IUPAC4-cyclopropa-1,2-dien-1-ylcyclohexene
SMILESC1=CC=1C1CC=CCC1
InChIInChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-2,6,8H,3-5H2
InChIKeyHMCQSSRQTQPJIR-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.44
Rot. Bonds1

About 4-cyclopropa-1,2-dien-1-ylcyclohexene

4-cyclopropa-1,2-dien-1-ylcyclohexene (PubChem CID 163618559) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 4-cyclopropa-1,2-dien-1-ylcyclohexene.

Molecular Properties

Compound Name4-cyclopropa-1,2-dien-1-ylcyclohexene
PubChem CID163618559
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name4-cyclopropa-1,2-dien-1-ylcyclohexene
SMILESC1=CC=1C1CC=CCC1
InChIInChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-2,6,8H,3-5H2
InChIKeyHMCQSSRQTQPJIR-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.44
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 4-cyclopropa-1,2-dien-1-ylcyclohexene?
The IUPAC name of 4-cyclopropa-1,2-dien-1-ylcyclohexene (CID 163618559) is 4-cyclopropa-1,2-dien-1-ylcyclohexene.
What is the SMILES notation for 4-cyclopropa-1,2-dien-1-ylcyclohexene?
The canonical SMILES for 4-cyclopropa-1,2-dien-1-ylcyclohexene is C1=CC=1C1CC=CCC1.
What is the InChIKey of 4-cyclopropa-1,2-dien-1-ylcyclohexene?
The InChIKey is HMCQSSRQTQPJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-2,6,8H,3-5H2.
What are the key properties of 4-cyclopropa-1,2-dien-1-ylcyclohexene?
4-cyclopropa-1,2-dien-1-ylcyclohexene has a molecular weight of 118.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropa-1,2-dien-1-ylcyclohexene is sourced from PubChem (CID 163618559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).