5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene

C11H12 — CID 174409389

IUPAC5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene
SMILESCC(C1=CCC1)=C1C=CC=C1
InChIInChI=1S/C11H12/c1-9(11-7-4-8-11)10-5-2-3-6-10/h2-3,5-7H,4,8H2,1H3
InChIKeyNFPRUIUERZYHKF-UHFFFAOYSA-N
MW144.22 g/mol
LogP3.15
Rot. Bonds1

About 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene

5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene (PubChem CID 174409389) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene
PubChem CID174409389
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene
SMILESCC(C1=CCC1)=C1C=CC=C1
InChIInChI=1S/C11H12/c1-9(11-7-4-8-11)10-5-2-3-6-10/h2-3,5-7H,4,8H2,1H3
InChIKeyNFPRUIUERZYHKF-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene?
The IUPAC name of 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene (CID 174409389) is 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene?
The canonical SMILES for 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene is CC(C1=CCC1)=C1C=CC=C1.
What is the InChIKey of 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene?
The InChIKey is NFPRUIUERZYHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-9(11-7-4-8-11)10-5-2-3-6-10/h2-3,5-7H,4,8H2,1H3.
What are the key properties of 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene?
5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene has a molecular weight of 144.22 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene is sourced from PubChem (CID 174409389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).