tris(prop-2-enyl)boranuide

C9H16B- — CID 173017948

IUPACtris(prop-2-enyl)boranuide
SMILESC=CC[BH-](CC=C)CC=C
InChIInChI=1S/C9H16B/c1-4-7-10(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2/q-1
InChIKeyRBZBVVZHLAGHJS-UHFFFAOYSA-N
MW135.04 g/mol
LogP2.77
Rot. Bonds6

About tris(prop-2-enyl)boranuide

tris(prop-2-enyl)boranuide (PubChem CID 173017948) has the molecular formula C9H16B- and a molecular weight of 135.04 g/mol. Its IUPAC name is tris(prop-2-enyl)boranuide.

Molecular Properties

Compound Nametris(prop-2-enyl)boranuide
PubChem CID173017948
Molecular FormulaC9H16B-
Molecular Weight135.04 g/mol
Exact Mass135.14
IUPAC Nametris(prop-2-enyl)boranuide
SMILESC=CC[BH-](CC=C)CC=C
InChIInChI=1S/C9H16B/c1-4-7-10(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2/q-1
InChIKeyRBZBVVZHLAGHJS-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.04
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;prop-2-enylalumane;hydrochloride
CID 175477352
tris(prop-2-enyl)stibane
CID 14874506
dibromo(prop-2-enyl)borane
CID 25098889
3-aminoalumanylprop-1-ene
CID 173128744
iron;N-methylprop-2-en-1-amine
CID 175581190
3-chloroprop-1-ene;N-methylmethanamine
CID 19802160
CID 173205898
CID 173205898
1-iodo-1-prop-2-enylcyclohexane
CID 140656349
CID 86657892
CID 86657892
3-iodoprop-1-ene;zinc
CID 87332721
CID 173451818
CID 173451818
but-1-ene;ethene
CID 19017343

Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl)boranuide?
The IUPAC name of tris(prop-2-enyl)boranuide (CID 173017948) is tris(prop-2-enyl)boranuide.
What is the SMILES notation for tris(prop-2-enyl)boranuide?
The canonical SMILES for tris(prop-2-enyl)boranuide is C=CC[BH-](CC=C)CC=C.
What is the InChIKey of tris(prop-2-enyl)boranuide?
The InChIKey is RBZBVVZHLAGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16B/c1-4-7-10(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2/q-1.
What are the key properties of tris(prop-2-enyl)boranuide?
tris(prop-2-enyl)boranuide has a molecular weight of 135.04 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl)boranuide is sourced from PubChem (CID 173017948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).