1-methylidene-2-pent-4-enylidenecyclopropane

C9H12 — CID 123453867

IUPAC1-methylidene-2-pent-4-enylidenecyclopropane
SMILESC=CCCC=C1CC1=C
InChIInChI=1S/C9H12/c1-3-4-5-6-9-7-8(9)2/h3,6H,1-2,4-5,7H2
InChIKeyJATMWAALCPACKN-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds3

About 1-methylidene-2-pent-4-enylidenecyclopropane

1-methylidene-2-pent-4-enylidenecyclopropane (PubChem CID 123453867) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1-methylidene-2-pent-4-enylidenecyclopropane.

Molecular Properties

Compound Name1-methylidene-2-pent-4-enylidenecyclopropane
PubChem CID123453867
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1-methylidene-2-pent-4-enylidenecyclopropane
SMILESC=CCCC=C1CC1=C
InChIInChI=1S/C9H12/c1-3-4-5-6-9-7-8(9)2/h3,6H,1-2,4-5,7H2
InChIKeyJATMWAALCPACKN-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-pent-4-enylidenecyclopropane?
The IUPAC name of 1-methylidene-2-pent-4-enylidenecyclopropane (CID 123453867) is 1-methylidene-2-pent-4-enylidenecyclopropane.
What is the SMILES notation for 1-methylidene-2-pent-4-enylidenecyclopropane?
The canonical SMILES for 1-methylidene-2-pent-4-enylidenecyclopropane is C=CCCC=C1CC1=C.
What is the InChIKey of 1-methylidene-2-pent-4-enylidenecyclopropane?
The InChIKey is JATMWAALCPACKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-3-4-5-6-9-7-8(9)2/h3,6H,1-2,4-5,7H2.
What are the key properties of 1-methylidene-2-pent-4-enylidenecyclopropane?
1-methylidene-2-pent-4-enylidenecyclopropane has a molecular weight of 120.19 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-pent-4-enylidenecyclopropane is sourced from PubChem (CID 123453867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).