butylidenecyclopropane

C7H12 — CID 12928195

IUPACbutylidenecyclopropane
SMILESCCCC=C1CC1
InChIInChI=1S/C7H12/c1-2-3-4-7-5-6-7/h4H,2-3,5-6H2,1H3
InChIKeyCMHXXCSWRCBTRZ-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.51
Rot. Bonds2

About butylidenecyclopropane

butylidenecyclopropane (PubChem CID 12928195) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is butylidenecyclopropane.

Molecular Properties

Compound Namebutylidenecyclopropane
PubChem CID12928195
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Namebutylidenecyclopropane
SMILESCCCC=C1CC1
InChIInChI=1S/C7H12/c1-2-3-4-7-5-6-7/h4H,2-3,5-6H2,1H3
InChIKeyCMHXXCSWRCBTRZ-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-Hexadiene, 4-methyl-, cis-
CID 5367525
2-Pentene, 3-methyl-, (2Z)-
CID 643935
2-Methyl-2-pentene
CID 12243
3-Methyl-2-pentene
CID 12014
2-Methyl-2-hexene
CID 17656
(E)-3-methylpent-2-ene
CID 642661
3-Methyl-3-hexene, (E)-
CID 5352447
3-Methyl-3-hexene, (Z)-
CID 5357250
Ethylidenecyclopropane
CID 140404
(E)-3-Methyl-2-hexene
CID 5352660
(Z)-3-Methyl-2-hexene
CID 5357248
trans-1-Propenylcyclopropane
CID 5364359

Frequently Asked Questions

What is the IUPAC name of butylidenecyclopropane?
The IUPAC name of butylidenecyclopropane (CID 12928195) is butylidenecyclopropane.
What is the SMILES notation for butylidenecyclopropane?
The canonical SMILES for butylidenecyclopropane is CCCC=C1CC1.
What is the InChIKey of butylidenecyclopropane?
The InChIKey is CMHXXCSWRCBTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h4H,2-3,5-6H2,1H3.
What are the key properties of butylidenecyclopropane?
butylidenecyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylidenecyclopropane is sourced from PubChem (CID 12928195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).