prop-2-enyl N-[2-(methylamino)ethyl]carbamate

C7H14N2O2 — CID 18525944

IUPACprop-2-enyl N-[2-(methylamino)ethyl]carbamate
SMILESC=CCOC(=O)NCCNC
InChIInChI=1S/C7H14N2O2/c1-3-6-11-7(10)9-5-4-8-2/h3,8H,1,4-6H2,2H3,(H,9,10)
InChIKeyKWUXKYITOPQQRK-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.12
Rot. Bonds5

About prop-2-enyl N-[2-(methylamino)ethyl]carbamate

prop-2-enyl N-[2-(methylamino)ethyl]carbamate (PubChem CID 18525944) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is prop-2-enyl N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(methylamino)ethyl]carbamate
PubChem CID18525944
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameprop-2-enyl N-[2-(methylamino)ethyl]carbamate
SMILESC=CCOC(=O)NCCNC
InChIInChI=1S/C7H14N2O2/c1-3-6-11-7(10)9-5-4-8-2/h3,8H,1,4-6H2,2H3,(H,9,10)
InChIKeyKWUXKYITOPQQRK-UHFFFAOYSA-N
XLogP0.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-[2-(methylamino)ethyl]carbamate 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 prop-2-enyl N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(methylamino)ethyl]carbamate (CID 18525944) is prop-2-enyl N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(methylamino)ethyl]carbamate is C=CCOC(=O)NCCNC.
What is the InChIKey of prop-2-enyl N-[2-(methylamino)ethyl]carbamate?
The InChIKey is KWUXKYITOPQQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-6-11-7(10)9-5-4-8-2/h3,8H,1,4-6H2,2H3,(H,9,10).
What are the key properties of prop-2-enyl N-[2-(methylamino)ethyl]carbamate?
prop-2-enyl N-[2-(methylamino)ethyl]carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 18525944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).