[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide

C26H27BrNOP — CID 10838424

IUPAC[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1CC1CC1.[Br-]
InChIInChI=1S/C26H27NOP.BrH/c28-26-25(18-19-27(26)20-21-16-17-21)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-15,21,25H,16-20H2;1H/q+1;/p-1
InChIKeySSXWZWLGONDRLH-UHFFFAOYSA-M
MW480.39 g/mol
LogP1.00
Rot. Bonds6

About [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide

[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide (PubChem CID 10838424) has the molecular formula C26H27BrNOP and a molecular weight of 480.39 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
PubChem CID10838424
Molecular FormulaC26H27BrNOP
Molecular Weight480.39 g/mol
Exact Mass479.10
IUPAC Name[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1CC1CC1.[Br-]
InChIInChI=1S/C26H27NOP.BrH/c28-26-25(18-19-27(26)20-21-16-17-21)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-15,21,25H,16-20H2;1H/q+1;/p-1
InChIKeySSXWZWLGONDRLH-UHFFFAOYSA-M
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide?
The IUPAC name of [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide (CID 10838424) is [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide.
What is the SMILES notation for [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide?
The canonical SMILES for [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide is O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1CC1CC1.[Br-].
What is the InChIKey of [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide?
The InChIKey is SSXWZWLGONDRLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H27NOP.BrH/c28-26-25(18-19-27(26)20-21-16-17-21)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-15,21,25H,16-20H2;1H/q+1;/p-1.
What are the key properties of [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide?
[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide has a molecular weight of 480.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide is sourced from PubChem (CID 10838424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).