2-methyl-1-pent-3-enylbicyclo[1.1.0]butane

C10H16 — CID 90930588

IUPAC2-methyl-1-pent-3-enylbicyclo[1.1.0]butane
SMILESCC=CCCC12CC1C2C
InChIInChI=1S/C10H16/c1-3-4-5-6-10-7-9(10)8(10)2/h3-4,8-9H,5-7H2,1-2H3
InChIKeyVAZLWWRVQRWPMG-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane

2-methyl-1-pent-3-enylbicyclo[1.1.0]butane (PubChem CID 90930588) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-methyl-1-pent-3-enylbicyclo[1.1.0]butane
PubChem CID90930588
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-methyl-1-pent-3-enylbicyclo[1.1.0]butane
SMILESCC=CCCC12CC1C2C
InChIInChI=1S/C10H16/c1-3-4-5-6-10-7-9(10)8(10)2/h3-4,8-9H,5-7H2,1-2H3
InChIKeyVAZLWWRVQRWPMG-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane?
The IUPAC name of 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane (CID 90930588) is 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane?
The canonical SMILES for 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane is CC=CCCC12CC1C2C.
What is the InChIKey of 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane?
The InChIKey is VAZLWWRVQRWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-4-5-6-10-7-9(10)8(10)2/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane?
2-methyl-1-pent-3-enylbicyclo[1.1.0]butane has a molecular weight of 136.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pent-3-enylbicyclo[1.1.0]butane is sourced from PubChem (CID 90930588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).