methane;methylidene(propyl)borane

C5H13B — CID 157160485

IUPACmethane;methylidene(propyl)borane
SMILESC.C=BCCC
InChIInChI=1S/C4H9B.CH4/c1-3-4-5-2;/h2-4H2,1H3;1H4
InChIKeyAMHUPEKPWYKCEG-UHFFFAOYSA-N
MW83.97 g/mol
LogP1.59
Rot. Bonds2

About methane;methylidene(propyl)borane

methane;methylidene(propyl)borane (PubChem CID 157160485) has the molecular formula C5H13B and a molecular weight of 83.97 g/mol. Its IUPAC name is methane;methylidene(propyl)borane.

Molecular Properties

Compound Namemethane;methylidene(propyl)borane
PubChem CID157160485
Molecular FormulaC5H13B
Molecular Weight83.97 g/mol
Exact Mass84.11
IUPAC Namemethane;methylidene(propyl)borane
SMILESC.C=BCCC
InChIInChI=1S/C4H9B.CH4/c1-3-4-5-2;/h2-4H2,1H3;1H4
InChIKeyAMHUPEKPWYKCEG-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.97
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;methylidene(propyl)borane?
The IUPAC name of methane;methylidene(propyl)borane (CID 157160485) is methane;methylidene(propyl)borane.
What is the SMILES notation for methane;methylidene(propyl)borane?
The canonical SMILES for methane;methylidene(propyl)borane is C.C=BCCC.
What is the InChIKey of methane;methylidene(propyl)borane?
The InChIKey is AMHUPEKPWYKCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9B.CH4/c1-3-4-5-2;/h2-4H2,1H3;1H4.
What are the key properties of methane;methylidene(propyl)borane?
methane;methylidene(propyl)borane has a molecular weight of 83.97 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylidene(propyl)borane is sourced from PubChem (CID 157160485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).