N-phosphorosoprop-2-enamide

C3H4NO2P — CID 87115705

IUPACN-phosphorosoprop-2-enamide
SMILESC=CC(=O)NP=O
InChIInChI=1S/C3H4NO2P/c1-2-3(5)4-7-6/h2H,1H2,(H,4,5,6)
InChIKeyLJLVYMKOVLIUDB-UHFFFAOYSA-N
MW117.04 g/mol
LogP0.50
Rot. Bonds2

About N-phosphorosoprop-2-enamide

N-phosphorosoprop-2-enamide (PubChem CID 87115705) has the molecular formula C3H4NO2P and a molecular weight of 117.04 g/mol. Its IUPAC name is N-phosphorosoprop-2-enamide.

Molecular Properties

Compound NameN-phosphorosoprop-2-enamide
PubChem CID87115705
Molecular FormulaC3H4NO2P
Molecular Weight117.04 g/mol
Exact Mass117.00
IUPAC NameN-phosphorosoprop-2-enamide
SMILESC=CC(=O)NP=O
InChIInChI=1S/C3H4NO2P/c1-2-3(5)4-7-6/h2H,1H2,(H,4,5,6)
InChIKeyLJLVYMKOVLIUDB-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.04
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
CID 173161904
CID 173161904
N-hydroxyprop-2-enamide;hydrochloride
CID 87262131
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 88793107
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
N-tert-butylprop-2-enamide;sulfane
CID 158648389
sodium N-propan-2-ylprop-2-enamide
CID 19004870
methanol;bis(N-methylprop-2-enamide)
CID 175170531
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl](113C)prop-2-enamide
CID 10397303
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226

Frequently Asked Questions

What is the IUPAC name of N-phosphorosoprop-2-enamide?
The IUPAC name of N-phosphorosoprop-2-enamide (CID 87115705) is N-phosphorosoprop-2-enamide.
What is the SMILES notation for N-phosphorosoprop-2-enamide?
The canonical SMILES for N-phosphorosoprop-2-enamide is C=CC(=O)NP=O.
What is the InChIKey of N-phosphorosoprop-2-enamide?
The InChIKey is LJLVYMKOVLIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NO2P/c1-2-3(5)4-7-6/h2H,1H2,(H,4,5,6).
What are the key properties of N-phosphorosoprop-2-enamide?
N-phosphorosoprop-2-enamide has a molecular weight of 117.04 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phosphorosoprop-2-enamide is sourced from PubChem (CID 87115705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).