[ethenoxy(hydroxy)phosphoryl] carbamate

C3H6NO5P — CID 163620088

IUPAC[ethenoxy(hydroxy)phosphoryl] carbamate
SMILESC=COP(=O)(O)OC(N)=O
InChIInChI=1S/C3H6NO5P/c1-2-8-10(6,7)9-3(4)5/h2H,1H2,(H2,4,5)(H,6,7)
InChIKeyHNJCDSBFFVQWBH-UHFFFAOYSA-N
MW167.06 g/mol
LogP0.34
Rot. Bonds3

About [ethenoxy(hydroxy)phosphoryl] carbamate

[ethenoxy(hydroxy)phosphoryl] carbamate (PubChem CID 163620088) has the molecular formula C3H6NO5P and a molecular weight of 167.06 g/mol. Its IUPAC name is [ethenoxy(hydroxy)phosphoryl] carbamate.

Molecular Properties

Compound Name[ethenoxy(hydroxy)phosphoryl] carbamate
PubChem CID163620088
Molecular FormulaC3H6NO5P
Molecular Weight167.06 g/mol
Exact Mass167.00
IUPAC Name[ethenoxy(hydroxy)phosphoryl] carbamate
SMILESC=COP(=O)(O)OC(N)=O
InChIInChI=1S/C3H6NO5P/c1-2-8-10(6,7)9-3(4)5/h2H,1H2,(H2,4,5)(H,6,7)
InChIKeyHNJCDSBFFVQWBH-UHFFFAOYSA-N
XLogP0.34
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.06
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[hydroxy(phosphonooxy)phosphoryl] carbamate
CID 174634052
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
sodium;hydride;phosphono carbamate
CID 173413043
phosphoric acid;bis(prop-2-enamide)
CID 175358091
[3-[ethenoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 89188019
[ethenoxy(hydroxy)phosphoryl]carbonyl-trihydroxyphosphanium
CID 56634520
phosphono dihydrogen phosphate;prop-2-enamide
CID 174924052
ethenylphosphonic acid;prop-2-enamide
CID 18401329
sodium;ethenyl carbamate;hydride
CID 174882073
ethenesulfonic acid;ethenyl dihydrogen phosphate
CID 158247102
ethenoxy(pentyl)phosphinic acid
CID 87577957

Frequently Asked Questions

What is the IUPAC name of [ethenoxy(hydroxy)phosphoryl] carbamate?
The IUPAC name of [ethenoxy(hydroxy)phosphoryl] carbamate (CID 163620088) is [ethenoxy(hydroxy)phosphoryl] carbamate.
What is the SMILES notation for [ethenoxy(hydroxy)phosphoryl] carbamate?
The canonical SMILES for [ethenoxy(hydroxy)phosphoryl] carbamate is C=COP(=O)(O)OC(N)=O.
What is the InChIKey of [ethenoxy(hydroxy)phosphoryl] carbamate?
The InChIKey is HNJCDSBFFVQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO5P/c1-2-8-10(6,7)9-3(4)5/h2H,1H2,(H2,4,5)(H,6,7).
What are the key properties of [ethenoxy(hydroxy)phosphoryl] carbamate?
[ethenoxy(hydroxy)phosphoryl] carbamate has a molecular weight of 167.06 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenoxy(hydroxy)phosphoryl] carbamate is sourced from PubChem (CID 163620088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).