N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine

C4H10NO4P — CID 174292375

IUPACN-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine
SMILESC=CCNOP(C)(=O)OO
InChIInChI=1S/C4H10NO4P/c1-3-4-5-8-10(2,7)9-6/h3,5-6H,1,4H2,2H3
InChIKeyLHVGSEQDMWUCAL-UHFFFAOYSA-N
MW167.10 g/mol
LogP1.01
Rot. Bonds5

About N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine

N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine (PubChem CID 174292375) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine.

Molecular Properties

Compound NameN-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine
PubChem CID174292375
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC NameN-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine
SMILESC=CCNOP(C)(=O)OO
InChIInChI=1S/C4H10NO4P/c1-3-4-5-8-10(2,7)9-6/h3,5-6H,1,4H2,2H3
InChIKeyLHVGSEQDMWUCAL-UHFFFAOYSA-N
XLogP1.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enylamino) hydrogen phosphate
CID 88835074
2-[hydroxy-(prop-2-enylamino)oxyphosphoryl]oxyethyl-trimethylazanium
CID 87501398
N-(prop-2-enylamino)oxyprop-2-en-1-amine;hydrochloride
CID 174945611
N,N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid
CID 87466801
[hydroperoxy(methyl)phosphoryl]oxymethanol
CID 87159447
phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)
CID 173019567
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237
N-(diethoxyphosphorylmethyl)prop-2-en-1-amine
CID 5173430
ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
CID 103439526
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
prop-2-enyl 2-dimethylphosphorylacetate
CID 89403002
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852

Frequently Asked Questions

What is the IUPAC name of N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine?
The IUPAC name of N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine (CID 174292375) is N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine.
What is the SMILES notation for N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine?
The canonical SMILES for N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine is C=CCNOP(C)(=O)OO.
What is the InChIKey of N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine?
The InChIKey is LHVGSEQDMWUCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4P/c1-3-4-5-8-10(2,7)9-6/h3,5-6H,1,4H2,2H3.
What are the key properties of N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine?
N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine has a molecular weight of 167.10 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroperoxy(methyl)phosphoryl]oxyprop-2-en-1-amine is sourced from PubChem (CID 174292375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).