prop-2-enylcarbamoyl formate

C5H7NO3 — CID 173333387

IUPACprop-2-enylcarbamoyl formate
SMILESC=CCNC(=O)OC=O
InChIInChI=1S/C5H7NO3/c1-2-3-6-5(8)9-4-7/h2,4H,1,3H2,(H,6,8)
InChIKeyJQTYGFNMMATRSV-UHFFFAOYSA-N
MW129.12 g/mol
LogP0.05
Rot. Bonds3

About prop-2-enylcarbamoyl formate

prop-2-enylcarbamoyl formate (PubChem CID 173333387) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is prop-2-enylcarbamoyl formate.

Molecular Properties

Compound Nameprop-2-enylcarbamoyl formate
PubChem CID173333387
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC Nameprop-2-enylcarbamoyl formate
SMILESC=CCNC(=O)OC=O
InChIInChI=1S/C5H7NO3/c1-2-3-6-5(8)9-4-7/h2,4H,1,3H2,(H,6,8)
InChIKeyJQTYGFNMMATRSV-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,2-tribromoethyl N-prop-2-enylcarbamate
CID 173308165
[1-oxo-1-(prop-2-enylamino)but-3-en-2-yl] formate
CID 173049025
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
prop-2-enylcarbamic acid;hydrate
CID 173458484
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
molybdenum;hexakis(N-prop-2-enylcarbamothioate)
CID 173070392
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
heptyl N-prop-2-enylcarbamate
CID 123482137
3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid
CID 155175290
(pentylamino) N-prop-2-enylcarbamate
CID 87530951
methanethiol;prop-2-enylcarbamic acid
CID 175464551
ethane;N-prop-2-enylprop-2-enamide
CID 142535548

Frequently Asked Questions

What is the IUPAC name of prop-2-enylcarbamoyl formate?
The IUPAC name of prop-2-enylcarbamoyl formate (CID 173333387) is prop-2-enylcarbamoyl formate.
What is the SMILES notation for prop-2-enylcarbamoyl formate?
The canonical SMILES for prop-2-enylcarbamoyl formate is C=CCNC(=O)OC=O.
What is the InChIKey of prop-2-enylcarbamoyl formate?
The InChIKey is JQTYGFNMMATRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-2-3-6-5(8)9-4-7/h2,4H,1,3H2,(H,6,8).
What are the key properties of prop-2-enylcarbamoyl formate?
prop-2-enylcarbamoyl formate has a molecular weight of 129.12 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylcarbamoyl formate is sourced from PubChem (CID 173333387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).