ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate

C10H19NO2 — CID 143786345

IUPACethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
SMILESC/C=C\CN(CCC)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-7-9-11(8-5-2)10(12)13-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4-
InChIKeyOAYLRXJRXWTNEB-DAXSKMNVSA-N
MW185.27 g/mol
LogP2.43
Rot. Bonds5

About ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate

ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate (PubChem CID 143786345) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
PubChem CID143786345
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
SMILESC/C=C\CN(CCC)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-7-9-11(8-5-2)10(12)13-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4-
InChIKeyOAYLRXJRXWTNEB-DAXSKMNVSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate
CID 163829772
benzene-1,3-diol;ethyl N,N-dipropylcarbamate
CID 70629158
3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate
CID 139759873
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate?
The IUPAC name of ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate (CID 143786345) is ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate.
What is the SMILES notation for ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate?
The canonical SMILES for ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate is C/C=C\CN(CCC)C(=O)OCC.
What is the InChIKey of ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate?
The InChIKey is OAYLRXJRXWTNEB-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-9-11(8-5-2)10(12)13-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4-.
What are the key properties of ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate?
ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate has a molecular weight of 185.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate is sourced from PubChem (CID 143786345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).