3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium

C5H11NO2P+ — CID 175262865

IUPAC3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium
SMILESCC(N)=CC[P+](=O)CO
InChIInChI=1S/C5H11NO2P/c1-5(6)2-3-9(8)4-7/h2,7H,3-4,6H2,1H3/q+1
InChIKeyKIWBKROIIGDFQA-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.63
Rot. Bonds3

About 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium

3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium (PubChem CID 175262865) has the molecular formula C5H11NO2P+ and a molecular weight of 148.12 g/mol. Its IUPAC name is 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium.

Molecular Properties

Compound Name3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium
PubChem CID175262865
Molecular FormulaC5H11NO2P+
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium
SMILESCC(N)=CC[P+](=O)CO
InChIInChI=1S/C5H11NO2P/c1-5(6)2-3-9(8)4-7/h2,7H,3-4,6H2,1H3/q+1
InChIKeyKIWBKROIIGDFQA-UHFFFAOYSA-N
XLogP0.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3-methoxycarbonyl-5-oxopent-2-enyl)-(hydroxymethyl)-oxophosphanium
CID 91600169
(3-acetyloxy-3-carboxyprop-2-enyl)-(hydroxymethyl)-oxophosphanium
CID 56631004
[(Z)-3-acetamido-3-carboxyprop-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 86633843
[(Z)-3-carboxy-3-(methoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 86674855
[(Z)-4-ethoxy-3-(methoxycarbonylamino)-4-oxobut-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 89147443
(Z)-5,5,5-trifluoropent-2-en-2-amine
CID 155429423
methanamine;(Z)-pent-2-en-2-amine
CID 145487101
[(Z)-3-carboxy-3-(phenylmethoxycarbonylamino)prop-2-enyl]-(hydroxymethyl)-oxophosphanium
CID 71087261
3,5-diaminopent-3-en-2-one
CID 173435914
(Z)-4-aminopent-3-enenitrile
CID 55289579
(E)-oct-2-en-2-amine
CID 87259480
4-hydroxy-3-(hydroxymethyl)-2-methylbut-2-enamide
CID 22023492

Frequently Asked Questions

What is the IUPAC name of 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium?
The IUPAC name of 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium (CID 175262865) is 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium.
What is the SMILES notation for 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium?
The canonical SMILES for 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium is CC(N)=CC[P+](=O)CO.
What is the InChIKey of 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium?
The InChIKey is KIWBKROIIGDFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2P/c1-5(6)2-3-9(8)4-7/h2,7H,3-4,6H2,1H3/q+1.
What are the key properties of 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium?
3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium has a molecular weight of 148.12 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobut-2-enyl-(hydroxymethyl)-oxophosphanium is sourced from PubChem (CID 175262865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).