2-but-2-enyl-1-methylbicyclo[1.1.0]butane

C9H14 — CID 123185541

IUPAC2-but-2-enyl-1-methylbicyclo[1.1.0]butane
SMILESCC=CCC1C2CC12C
InChIInChI=1S/C9H14/c1-3-4-5-7-8-6-9(7,8)2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDBQVPPYEZZGAHU-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds2

About 2-but-2-enyl-1-methylbicyclo[1.1.0]butane

2-but-2-enyl-1-methylbicyclo[1.1.0]butane (PubChem CID 123185541) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-but-2-enyl-1-methylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-but-2-enyl-1-methylbicyclo[1.1.0]butane
PubChem CID123185541
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-but-2-enyl-1-methylbicyclo[1.1.0]butane
SMILESCC=CCC1C2CC12C
InChIInChI=1S/C9H14/c1-3-4-5-7-8-6-9(7,8)2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDBQVPPYEZZGAHU-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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

cis-(2S,3R)-2-[(E)-but-2-enyl]-1,1,3-trimethylcyclohexane
CID 173431731
3-[(E)-but-2-enyl]-6-methoxy-2,4,4-trimethylcyclohexan-1-ol
CID 141352212
(3R)-2-but-2-enyl-3-chloro-1,1-difluorocyclopropane
CID 134970490
5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine
CID 156569386
3-[(E)-but-2-enyl]-2,2-dimethyloxirane
CID 18345585
1-methyl-2-pentylbicyclo[1.1.0]butane
CID 90877052
1-[(Z)-but-2-enyl]-2-methylcyclopropane
CID 143324867
(2S)-1-but-2-enyl-2-methylcyclopropane
CID 59524462
2-but-2-enyl-4-methyl-1,3-dioxetane
CID 69303786
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
2-but-2-enylcyclobutan-1-ol
CID 71372115
4-[(E)-but-2-enyl]oxane
CID 166726041

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-1-methylbicyclo[1.1.0]butane?
The IUPAC name of 2-but-2-enyl-1-methylbicyclo[1.1.0]butane (CID 123185541) is 2-but-2-enyl-1-methylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-but-2-enyl-1-methylbicyclo[1.1.0]butane?
The canonical SMILES for 2-but-2-enyl-1-methylbicyclo[1.1.0]butane is CC=CCC1C2CC12C.
What is the InChIKey of 2-but-2-enyl-1-methylbicyclo[1.1.0]butane?
The InChIKey is DBQVPPYEZZGAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-4-5-7-8-6-9(7,8)2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-but-2-enyl-1-methylbicyclo[1.1.0]butane?
2-but-2-enyl-1-methylbicyclo[1.1.0]butane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-1-methylbicyclo[1.1.0]butane is sourced from PubChem (CID 123185541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).