1-cyclopropylcyclobutene

C7H10 — CID 11457658

IUPAC1-cyclopropylcyclobutene
SMILESC1=C(C2CC2)CC1
InChIInChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h2,7H,1,3-5H2
InChIKeyYFORMJVYYRWTJI-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.12
Rot. Bonds1

About 1-cyclopropylcyclobutene

1-cyclopropylcyclobutene (PubChem CID 11457658) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 1-cyclopropylcyclobutene.

Molecular Properties

Compound Name1-cyclopropylcyclobutene
PubChem CID11457658
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name1-cyclopropylcyclobutene
SMILESC1=C(C2CC2)CC1
InChIInChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h2,7H,1,3-5H2
InChIKeyYFORMJVYYRWTJI-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.12
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

(E)-(6,10-dimethylundeca-1,5,9-trien-2-yl)cyclopropane
CID 131749437
Cyclopropane, 1,1',1''-(1-ethenyl-2-ylidene)tris-
CID 141044
(1Z)-bicyclo[10.1.0]tridec-1-ene
CID 22213845
Bicyclo(10.1.0)tridec-1-ene
CID 548879
2-Methyl-bicyclo[3.1.0]hex-2-ene
CID 13235329
3-Methylbicyclo[3.1.0]hex-2-ene
CID 13235330
Bicyclo[4.1.0]heptene
CID 13431883
1-Cyclopropylcyclopentene
CID 21439250
Bicyclo[3.1.0]hex-1-ene
CID 21525679
3-Ethylheptylidenecyclopropane
CID 90795599
Cyclopropylcyclopropene
CID 90803956
6-Methylhepta-1,5-dien-2-ylcyclopropane
CID 123347072

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylcyclobutene?
The IUPAC name of 1-cyclopropylcyclobutene (CID 11457658) is 1-cyclopropylcyclobutene.
What is the SMILES notation for 1-cyclopropylcyclobutene?
The canonical SMILES for 1-cyclopropylcyclobutene is C1=C(C2CC2)CC1.
What is the InChIKey of 1-cyclopropylcyclobutene?
The InChIKey is YFORMJVYYRWTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h2,7H,1,3-5H2.
What are the key properties of 1-cyclopropylcyclobutene?
1-cyclopropylcyclobutene has a molecular weight of 94.16 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylcyclobutene is sourced from PubChem (CID 11457658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).