1-aminobut-3-enyl-hydroxy-oxophosphanium

C4H9NO2P+ — CID 55289122

IUPAC1-aminobut-3-enyl-hydroxy-oxophosphanium
SMILESC=CCC(N)[P+](=O)O
InChIInChI=1S/C4H8NO2P/c1-2-3-4(5)8(6)7/h2,4H,1,3,5H2/p+1
InChIKeyBRHYZPBFYCLOMM-UHFFFAOYSA-O
MW134.09 g/mol
LogP0.58
Rot. Bonds3

About 1-aminobut-3-enyl-hydroxy-oxophosphanium

1-aminobut-3-enyl-hydroxy-oxophosphanium (PubChem CID 55289122) has the molecular formula C4H9NO2P+ and a molecular weight of 134.09 g/mol. Its IUPAC name is 1-aminobut-3-enyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-aminobut-3-enyl-hydroxy-oxophosphanium
PubChem CID55289122
Molecular FormulaC4H9NO2P+
Molecular Weight134.09 g/mol
Exact Mass134.04
IUPAC Name1-aminobut-3-enyl-hydroxy-oxophosphanium
SMILESC=CCC(N)[P+](=O)O
InChIInChI=1S/C4H8NO2P/c1-2-3-4(5)8(6)7/h2,4H,1,3,5H2/p+1
InChIKeyBRHYZPBFYCLOMM-UHFFFAOYSA-O
XLogP0.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614
(2S)-2-aminopent-4-enal
CID 160694428
[1-amino-2-[[aminomethylidene(dihydroxy)-λ5-phosphanyl]methyldisulfanyl]ethyl]-hydroxy-oxophosphanium
CID 23415486
3-aminohex-5-enoic acid
CID 22142027
methyl 2-aminopent-4-enoate
CID 10877146
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
2-aminopent-4-enenitrile;hydrochloride
CID 19438057
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
pent-4-ene-2-sulfonyl chloride
CID 165486149

Frequently Asked Questions

What is the IUPAC name of 1-aminobut-3-enyl-hydroxy-oxophosphanium?
The IUPAC name of 1-aminobut-3-enyl-hydroxy-oxophosphanium (CID 55289122) is 1-aminobut-3-enyl-hydroxy-oxophosphanium.
What is the SMILES notation for 1-aminobut-3-enyl-hydroxy-oxophosphanium?
The canonical SMILES for 1-aminobut-3-enyl-hydroxy-oxophosphanium is C=CCC(N)[P+](=O)O.
What is the InChIKey of 1-aminobut-3-enyl-hydroxy-oxophosphanium?
The InChIKey is BRHYZPBFYCLOMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8NO2P/c1-2-3-4(5)8(6)7/h2,4H,1,3,5H2/p+1.
What are the key properties of 1-aminobut-3-enyl-hydroxy-oxophosphanium?
1-aminobut-3-enyl-hydroxy-oxophosphanium has a molecular weight of 134.09 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobut-3-enyl-hydroxy-oxophosphanium is sourced from PubChem (CID 55289122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).