5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene

C11H10 — CID 13452202

IUPAC5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene
SMILESC(#CC1CC1)C=C1C=CC=C1
InChIInChI=1S/C11H10/c1-2-5-10(4-1)6-3-7-11-8-9-11/h1-2,4-6,11H,8-9H2
InChIKeyGHOIVSVOPWHXAW-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.45
Rot. Bonds

About 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene

5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene (PubChem CID 13452202) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene
PubChem CID13452202
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene
SMILESC(#CC1CC1)C=C1C=CC=C1
InChIInChI=1S/C11H10/c1-2-5-10(4-1)6-3-7-11-8-9-11/h1-2,4-6,11H,8-9H2
InChIKeyGHOIVSVOPWHXAW-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene (CID 13452202) is 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene is C(#CC1CC1)C=C1C=CC=C1.
What is the InChIKey of 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene?
The InChIKey is GHOIVSVOPWHXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-2-5-10(4-1)6-3-7-11-8-9-11/h1-2,4-6,11H,8-9H2.
What are the key properties of 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene?
5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene has a molecular weight of 142.20 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylprop-2-ynylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 13452202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).