[(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid

C10H14BNO2 — CID 144681634

IUPAC[(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid
SMILESC=C/C=c1/[nH]c(B(O)O)c/c1=C/CC
InChIInChI=1S/C10H14BNO2/c1-3-5-8-7-10(11(13)14)12-9(8)6-4-2/h4-7,12-14H,2-3H2,1H3/b8-5-,9-6+
InChIKeyBRUWFKLFYUQUBN-LDFAFZTOSA-N
MW191.04 g/mol
LogP-1.15
Rot. Bonds3

About [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid

[(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid (PubChem CID 144681634) has the molecular formula C10H14BNO2 and a molecular weight of 191.04 g/mol. Its IUPAC name is [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid.

Molecular Properties

Compound Name[(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid
PubChem CID144681634
Molecular FormulaC10H14BNO2
Molecular Weight191.04 g/mol
Exact Mass191.11
IUPAC Name[(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid
SMILESC=C/C=c1/[nH]c(B(O)O)c/c1=C/CC
InChIInChI=1S/C10H14BNO2/c1-3-5-8-7-10(11(13)14)12-9(8)6-4-2/h4-7,12-14H,2-3H2,1H3/b8-5-,9-6+
InChIKeyBRUWFKLFYUQUBN-LDFAFZTOSA-N
XLogP-1.15
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid?
The IUPAC name of [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid (CID 144681634) is [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid.
What is the SMILES notation for [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid?
The canonical SMILES for [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid is C=C/C=c1/[nH]c(B(O)O)c/c1=C/CC.
What is the InChIKey of [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid?
The InChIKey is BRUWFKLFYUQUBN-LDFAFZTOSA-N. The full InChI is InChI=1S/C10H14BNO2/c1-3-5-8-7-10(11(13)14)12-9(8)6-4-2/h4-7,12-14H,2-3H2,1H3/b8-5-,9-6+.
What are the key properties of [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid?
[(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid has a molecular weight of 191.04 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid is sourced from PubChem (CID 144681634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).