ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate

C8H11ClN2O2 — CID 139759873

IUPACethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate
SMILESCCOC(=O)N(CC#N)C/C=C\Cl
InChIInChI=1S/C8H11ClN2O2/c1-2-13-8(12)11(7-5-10)6-3-4-9/h3-4H,2,6-7H2,1H3/b4-3-
InChIKeyDGYWGNKIMKDIEZ-ARJAWSKDSA-N
MW202.64 g/mol
LogP1.72
Rot. Bonds4

About ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate

ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate (PubChem CID 139759873) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate
PubChem CID139759873
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Nameethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate
SMILESCCOC(=O)N(CC#N)C/C=C\Cl
InChIInChI=1S/C8H11ClN2O2/c1-2-13-8(12)11(7-5-10)6-3-4-9/h3-4H,2,6-7H2,1H3/b4-3-
InChIKeyDGYWGNKIMKDIEZ-ARJAWSKDSA-N
XLogP1.72
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
CID 143786345
N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane
CID 144792557
N,N-bis(cyanomethyl)-2-ethoxyacetamide
CID 4187434
ethyl 4-[cyanomethyl(propyl)amino]-4-oxobutanoate
CID 21474642
ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate
CID 76931432
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
2,2,2-trifluoroethyl N,N-bis(cyanomethyl)carbamate
CID 65173383
ethyl 2-[bis(cyanomethyl)amino]butanoate
CID 64661054
N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide
CID 19738539
ethyl N-(4-bromophenyl)-N-(cyanomethyl)carbamate
CID 174355320
2-[3-chloroprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 165350727

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate?
The IUPAC name of ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate (CID 139759873) is ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate.
What is the SMILES notation for ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate?
The canonical SMILES for ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate is CCOC(=O)N(CC#N)C/C=C\Cl.
What is the InChIKey of ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate?
The InChIKey is DGYWGNKIMKDIEZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-2-13-8(12)11(7-5-10)6-3-4-9/h3-4H,2,6-7H2,1H3/b4-3-.
What are the key properties of ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate?
ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate has a molecular weight of 202.64 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate is sourced from PubChem (CID 139759873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).