2-cyclopropylbicyclo[1.1.0]but-1-ene

C7H8 — CID 90693222

IUPAC2-cyclopropylbicyclo[1.1.0]but-1-ene
SMILESC1CC1C1=C2CC21
InChIInChI=1S/C7H8/c1-2-4(1)7-5-3-6(5)7/h4-5H,1-3H2
InChIKeyKWAYNGHIUMZYEW-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.73
Rot. Bonds1

About 2-cyclopropylbicyclo[1.1.0]but-1-ene

2-cyclopropylbicyclo[1.1.0]but-1-ene (PubChem CID 90693222) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is 2-cyclopropylbicyclo[1.1.0]but-1-ene.

Molecular Properties

Compound Name2-cyclopropylbicyclo[1.1.0]but-1-ene
PubChem CID90693222
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Name2-cyclopropylbicyclo[1.1.0]but-1-ene
SMILESC1CC1C1=C2CC21
InChIInChI=1S/C7H8/c1-2-4(1)7-5-3-6(5)7/h4-5H,1-3H2
InChIKeyKWAYNGHIUMZYEW-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.73
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

1,2,2-Tricyclopropylethenylcyclopropane
CID 11286934
Dicyclopropylmethylidenecyclopropane
CID 640658
1,2-Dicyclopropylcyclopropene
CID 129652612
n-Butylbicyclopro-pylidene
CID 129653472
(2Z)-1-butyl-2-(2-butylcyclopropylidene)cyclopropane
CID 134993655
Cyclopropane, 1,1'-(2-methyl-1-propenylidene)bis-
CID 141372
2-Ethylbicyclo[2.1.0]pent-1-ene
CID 91509782
2-Butan-2-ylbicyclo[1.1.0]but-1-ene
CID 123514348
2-Propan-2-ylidene-4-propylbicyclo[1.1.0]butane
CID 123631250
Tricyclo[4.1.0.02,4]hept-1-ene
CID 148981974
2-Ethyl-4-methylbicyclo[1.1.0]but-1-ene
CID 173118731
1-Cyclopropylpropylidenecyclopropane
CID 173129421

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylbicyclo[1.1.0]but-1-ene?
The IUPAC name of 2-cyclopropylbicyclo[1.1.0]but-1-ene (CID 90693222) is 2-cyclopropylbicyclo[1.1.0]but-1-ene.
What is the SMILES notation for 2-cyclopropylbicyclo[1.1.0]but-1-ene?
The canonical SMILES for 2-cyclopropylbicyclo[1.1.0]but-1-ene is C1CC1C1=C2CC21.
What is the InChIKey of 2-cyclopropylbicyclo[1.1.0]but-1-ene?
The InChIKey is KWAYNGHIUMZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-4(1)7-5-3-6(5)7/h4-5H,1-3H2.
What are the key properties of 2-cyclopropylbicyclo[1.1.0]but-1-ene?
2-cyclopropylbicyclo[1.1.0]but-1-ene has a molecular weight of 92.14 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylbicyclo[1.1.0]but-1-ene is sourced from PubChem (CID 90693222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).