ethyl N-(2-cyanoethylidene)carbamate

C6H8N2O2 — CID 90733859

IUPACethyl N-(2-cyanoethylidene)carbamate
SMILESCCOC(=O)N=CCC#N
InChIInChI=1S/C6H8N2O2/c1-2-10-6(9)8-5-3-4-7/h5H,2-3H2,1H3
InChIKeySLCGZEQLABFOAO-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.13
Rot. Bonds2

About ethyl N-(2-cyanoethylidene)carbamate

ethyl N-(2-cyanoethylidene)carbamate (PubChem CID 90733859) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is ethyl N-(2-cyanoethylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(2-cyanoethylidene)carbamate
PubChem CID90733859
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Nameethyl N-(2-cyanoethylidene)carbamate
SMILESCCOC(=O)N=CCC#N
InChIInChI=1S/C6H8N2O2/c1-2-10-6(9)8-5-3-4-7/h5H,2-3H2,1H3
InChIKeySLCGZEQLABFOAO-UHFFFAOYSA-N
XLogP1.13
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
ethyl N-(2,2-dicyanoethylidene)carbamate
CID 91328166
ethyl N-butylidenecarbamate
CID 56612191
ethyl N-propylidenecarbamate
CID 56616575
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate
CID 57086784
ethyl N-(cyanomethylidene)carbamate
CID 141068867
3-Methyliminopropyl carbamate
CID 142872517

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-cyanoethylidene)carbamate?
The IUPAC name of ethyl N-(2-cyanoethylidene)carbamate (CID 90733859) is ethyl N-(2-cyanoethylidene)carbamate.
What is the SMILES notation for ethyl N-(2-cyanoethylidene)carbamate?
The canonical SMILES for ethyl N-(2-cyanoethylidene)carbamate is CCOC(=O)N=CCC#N.
What is the InChIKey of ethyl N-(2-cyanoethylidene)carbamate?
The InChIKey is SLCGZEQLABFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-10-6(9)8-5-3-4-7/h5H,2-3H2,1H3.
What are the key properties of ethyl N-(2-cyanoethylidene)carbamate?
ethyl N-(2-cyanoethylidene)carbamate has a molecular weight of 140.14 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-cyanoethylidene)carbamate is sourced from PubChem (CID 90733859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).