prop-2-enyl N-methylcarbamate

C5H9NO2 — CID 12685968

IUPACprop-2-enyl N-methylcarbamate
SMILESC=CCOC(=O)NC
InChIInChI=1S/C5H9NO2/c1-3-4-8-5(7)6-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyXGEAREWNUGXKQN-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.53
Rot. Bonds2

About prop-2-enyl N-methylcarbamate

prop-2-enyl N-methylcarbamate (PubChem CID 12685968) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is prop-2-enyl N-methylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-methylcarbamate
PubChem CID12685968
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Nameprop-2-enyl N-methylcarbamate
SMILESC=CCOC(=O)NC
InChIInChI=1S/C5H9NO2/c1-3-4-8-5(7)6-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyXGEAREWNUGXKQN-UHFFFAOYSA-N
XLogP0.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-methylcarbamate?
The IUPAC name of prop-2-enyl N-methylcarbamate (CID 12685968) is prop-2-enyl N-methylcarbamate.
What is the SMILES notation for prop-2-enyl N-methylcarbamate?
The canonical SMILES for prop-2-enyl N-methylcarbamate is C=CCOC(=O)NC.
What is the InChIKey of prop-2-enyl N-methylcarbamate?
The InChIKey is XGEAREWNUGXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4-8-5(7)6-2/h3H,1,4H2,2H3,(H,6,7).
What are the key properties of prop-2-enyl N-methylcarbamate?
prop-2-enyl N-methylcarbamate has a molecular weight of 115.13 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-methylcarbamate is sourced from PubChem (CID 12685968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).