hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium

C9H15NO2P+ — CID 57287097

IUPAChydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium
SMILESO=[P+](O)CCCCCc1ccc[nH]1
InChIInChI=1S/C9H14NO2P/c11-13(12)8-3-1-2-5-9-6-4-7-10-9/h4,6-7,10H,1-3,5,8H2/p+1
InChIKeyGVAALUGYQAOEHX-UHFFFAOYSA-O
MW200.20 g/mol
LogP2.46
Rot. Bonds6

About hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium

hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium (PubChem CID 57287097) has the molecular formula C9H15NO2P+ and a molecular weight of 200.20 g/mol. Its IUPAC name is hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium
PubChem CID57287097
Molecular FormulaC9H15NO2P+
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Namehydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium
SMILESO=[P+](O)CCCCCc1ccc[nH]1
InChIInChI=1S/C9H14NO2P/c11-13(12)8-3-1-2-5-9-6-4-7-10-9/h4,6-7,10H,1-3,5,8H2/p+1
InChIKeyGVAALUGYQAOEHX-UHFFFAOYSA-O
XLogP2.46
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-nitropentyl)-1H-pyrrole
CID 67867044
2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
4-(1H-pyrrol-2-yl)butylboronic acid
CID 57112268
2-(1H-pyrrol-2-yl)acetic acid;4-(1H-pyrrol-2-yl)butanoic acid;6-(1H-pyrrol-2-yl)hexanoic acid;3-(1H-pyrrol-2-yl)propanoic acid;11-(1H-pyrrol-2-yl)undecanoic acid
CID 67904968
3-(1H-pyrrol-2-yl)propyl hydrogen carbonate
CID 150891506
2-pentyl-1H-azonine
CID 174935963
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094
2-[4-[3-(2-phenylethyl)phenyl]butyl]-1H-pyrrole
CID 142106669
6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium
CID 176901757
disodium;hydride;2-(1H-pyrrol-2-yl)ethanesulfonic acid
CID 174391285
2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
CID 116925231

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium?
The IUPAC name of hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium (CID 57287097) is hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium is O=[P+](O)CCCCCc1ccc[nH]1.
What is the InChIKey of hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium?
The InChIKey is GVAALUGYQAOEHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14NO2P/c11-13(12)8-3-1-2-5-9-6-4-7-10-9/h4,6-7,10H,1-3,5,8H2/p+1.
What are the key properties of hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium?
hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium has a molecular weight of 200.20 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium is sourced from PubChem (CID 57287097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).