propan-2-yl N-methyl-N-prop-2-enylcarbamate

C8H15NO2 — CID 116657045

IUPACpropan-2-yl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OC(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-9(4)8(10)11-7(2)3/h5,7H,1,6H2,2-4H3
InChIKeyQTNGQIJXLHOHRF-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.65
Rot. Bonds3

About propan-2-yl N-methyl-N-prop-2-enylcarbamate

propan-2-yl N-methyl-N-prop-2-enylcarbamate (PubChem CID 116657045) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-prop-2-enylcarbamate
PubChem CID116657045
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namepropan-2-yl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OC(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-9(4)8(10)11-7(2)3/h5,7H,1,6H2,2-4H3
InChIKeyQTNGQIJXLHOHRF-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propan-2-yl N-methyl-N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-prop-2-enylcarbamate?
The IUPAC name of propan-2-yl N-methyl-N-prop-2-enylcarbamate (CID 116657045) is propan-2-yl N-methyl-N-prop-2-enylcarbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-prop-2-enylcarbamate?
The canonical SMILES for propan-2-yl N-methyl-N-prop-2-enylcarbamate is C=CCN(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-methyl-N-prop-2-enylcarbamate?
The InChIKey is QTNGQIJXLHOHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6-9(4)8(10)11-7(2)3/h5,7H,1,6H2,2-4H3.
What are the key properties of propan-2-yl N-methyl-N-prop-2-enylcarbamate?
propan-2-yl N-methyl-N-prop-2-enylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 116657045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).