cyclopenta-1,3-diene;3-methylcyclopropene

C9H12 — CID 21266720

IUPACcyclopenta-1,3-diene;3-methylcyclopropene
SMILESC1=CCC=C1.CC1C=C1
InChIInChI=1S/C5H6.C4H6/c1-2-4-5-3-1;1-4-2-3-4/h1-4H,5H2;2-4H,1H3
InChIKeyXDXRRYMFQYSXCS-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.69
Rot. Bonds

About cyclopenta-1,3-diene;3-methylcyclopropene

cyclopenta-1,3-diene;3-methylcyclopropene (PubChem CID 21266720) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is cyclopenta-1,3-diene;3-methylcyclopropene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;3-methylcyclopropene
PubChem CID21266720
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Namecyclopenta-1,3-diene;3-methylcyclopropene
SMILESC1=CCC=C1.CC1C=C1
InChIInChI=1S/C5H6.C4H6/c1-2-4-5-3-1;1-4-2-3-4/h1-4H,5H2;2-4H,1H3
InChIKeyXDXRRYMFQYSXCS-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.69
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 cyclopenta-1,3-diene;3-methylcyclopropene?
The IUPAC name of cyclopenta-1,3-diene;3-methylcyclopropene (CID 21266720) is cyclopenta-1,3-diene;3-methylcyclopropene.
What is the SMILES notation for cyclopenta-1,3-diene;3-methylcyclopropene?
The canonical SMILES for cyclopenta-1,3-diene;3-methylcyclopropene is C1=CCC=C1.CC1C=C1.
What is the InChIKey of cyclopenta-1,3-diene;3-methylcyclopropene?
The InChIKey is XDXRRYMFQYSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C4H6/c1-2-4-5-3-1;1-4-2-3-4/h1-4H,5H2;2-4H,1H3.
What are the key properties of cyclopenta-1,3-diene;3-methylcyclopropene?
cyclopenta-1,3-diene;3-methylcyclopropene has a molecular weight of 120.19 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;3-methylcyclopropene is sourced from PubChem (CID 21266720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).