ethyl N,N-bis(prop-2-enyl)carbamate;methanol

C10H19NO3 — CID 88770408

IUPACethyl N,N-bis(prop-2-enyl)carbamate;methanol
SMILESC=CCN(CC=C)C(=O)OCC.CO
InChIInChI=1S/C9H15NO2.CH4O/c1-4-7-10(8-5-2)9(11)12-6-3;1-2/h4-5H,1-2,6-8H2,3H3;2H,1H3
InChIKeyCWQKXBQRWRRVAG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.43
Rot. Bonds5

About ethyl N,N-bis(prop-2-enyl)carbamate;methanol

ethyl N,N-bis(prop-2-enyl)carbamate;methanol (PubChem CID 88770408) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl N,N-bis(prop-2-enyl)carbamate;methanol.

Molecular Properties

Compound Nameethyl N,N-bis(prop-2-enyl)carbamate;methanol
PubChem CID88770408
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl N,N-bis(prop-2-enyl)carbamate;methanol
SMILESC=CCN(CC=C)C(=O)OCC.CO
InChIInChI=1S/C9H15NO2.CH4O/c1-4-7-10(8-5-2)9(11)12-6-3;1-2/h4-5H,1-2,6-8H2,3H3;2H,1H3
InChIKeyCWQKXBQRWRRVAG-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl N,N-bis(prop-2-enyl)carbamate;methanol 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 ethyl N,N-bis(prop-2-enyl)carbamate;methanol?
The IUPAC name of ethyl N,N-bis(prop-2-enyl)carbamate;methanol (CID 88770408) is ethyl N,N-bis(prop-2-enyl)carbamate;methanol.
What is the SMILES notation for ethyl N,N-bis(prop-2-enyl)carbamate;methanol?
The canonical SMILES for ethyl N,N-bis(prop-2-enyl)carbamate;methanol is C=CCN(CC=C)C(=O)OCC.CO.
What is the InChIKey of ethyl N,N-bis(prop-2-enyl)carbamate;methanol?
The InChIKey is CWQKXBQRWRRVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.CH4O/c1-4-7-10(8-5-2)9(11)12-6-3;1-2/h4-5H,1-2,6-8H2,3H3;2H,1H3.
What are the key properties of ethyl N,N-bis(prop-2-enyl)carbamate;methanol?
ethyl N,N-bis(prop-2-enyl)carbamate;methanol has a molecular weight of 201.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-bis(prop-2-enyl)carbamate;methanol is sourced from PubChem (CID 88770408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).