3-butylidenecyclopropene

C7H10 — CID 91215868

IUPAC3-butylidenecyclopropene
SMILESCCCC=C1C=C1
InChIInChI=1S/C7H10/c1-2-3-4-7-5-6-7/h4-6H,2-3H2,1H3
InChIKeyZRXPDSWWFQRFFW-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.28
Rot. Bonds2

About 3-butylidenecyclopropene

3-butylidenecyclopropene (PubChem CID 91215868) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 3-butylidenecyclopropene.

Molecular Properties

Compound Name3-butylidenecyclopropene
PubChem CID91215868
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name3-butylidenecyclopropene
SMILESCCCC=C1C=C1
InChIInChI=1S/C7H10/c1-2-3-4-7-5-6-7/h4-6H,2-3H2,1H3
InChIKeyZRXPDSWWFQRFFW-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-butylidenecyclopropene?
The IUPAC name of 3-butylidenecyclopropene (CID 91215868) is 3-butylidenecyclopropene.
What is the SMILES notation for 3-butylidenecyclopropene?
The canonical SMILES for 3-butylidenecyclopropene is CCCC=C1C=C1.
What is the InChIKey of 3-butylidenecyclopropene?
The InChIKey is ZRXPDSWWFQRFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-3-4-7-5-6-7/h4-6H,2-3H2,1H3.
What are the key properties of 3-butylidenecyclopropene?
3-butylidenecyclopropene has a molecular weight of 94.16 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidenecyclopropene is sourced from PubChem (CID 91215868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).