ethene;prop-2-enylidene(pyrrol-1-yl)borane

C9H12BN — CID 142515287

IUPACethene;prop-2-enylidene(pyrrol-1-yl)borane
SMILESC=C.C=C/C=B/n1cccc1
InChIInChI=1S/C7H8BN.C2H4/c1-2-5-8-9-6-3-4-7-9;1-2/h2-7H,1H2;1-2H2
InChIKeyNSZGRPCRHDMWOB-UHFFFAOYSA-N
MW145.01 g/mol
LogP1.75
Rot. Bonds2

About ethene;prop-2-enylidene(pyrrol-1-yl)borane

ethene;prop-2-enylidene(pyrrol-1-yl)borane (PubChem CID 142515287) has the molecular formula C9H12BN and a molecular weight of 145.01 g/mol. Its IUPAC name is ethene;prop-2-enylidene(pyrrol-1-yl)borane.

Molecular Properties

Compound Nameethene;prop-2-enylidene(pyrrol-1-yl)borane
PubChem CID142515287
Molecular FormulaC9H12BN
Molecular Weight145.01 g/mol
Exact Mass145.11
IUPAC Nameethene;prop-2-enylidene(pyrrol-1-yl)borane
SMILESC=C.C=C/C=B/n1cccc1
InChIInChI=1S/C7H8BN.C2H4/c1-2-5-8-9-6-3-4-7-9;1-2/h2-7H,1H2;1-2H2
InChIKeyNSZGRPCRHDMWOB-UHFFFAOYSA-N
XLogP1.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.01
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;prop-2-enylidene(pyrrol-1-yl)borane?
The IUPAC name of ethene;prop-2-enylidene(pyrrol-1-yl)borane (CID 142515287) is ethene;prop-2-enylidene(pyrrol-1-yl)borane.
What is the SMILES notation for ethene;prop-2-enylidene(pyrrol-1-yl)borane?
The canonical SMILES for ethene;prop-2-enylidene(pyrrol-1-yl)borane is C=C.C=C/C=B/n1cccc1.
What is the InChIKey of ethene;prop-2-enylidene(pyrrol-1-yl)borane?
The InChIKey is NSZGRPCRHDMWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BN.C2H4/c1-2-5-8-9-6-3-4-7-9;1-2/h2-7H,1H2;1-2H2.
What are the key properties of ethene;prop-2-enylidene(pyrrol-1-yl)borane?
ethene;prop-2-enylidene(pyrrol-1-yl)borane has a molecular weight of 145.01 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;prop-2-enylidene(pyrrol-1-yl)borane is sourced from PubChem (CID 142515287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).