[(Z)-pent-3-enyl] N-ethylcarbamate

C8H15NO2 — CID 170200580

IUPAC[(Z)-pent-3-enyl] N-ethylcarbamate
SMILESC/C=C\CCOC(=O)NCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-11-8(10)9-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3-
InChIKeyLBRRYPOODJODSL-HYXAFXHYSA-N
MW157.21 g/mol
LogP1.70
Rot. Bonds4

About [(Z)-pent-3-enyl] N-ethylcarbamate

[(Z)-pent-3-enyl] N-ethylcarbamate (PubChem CID 170200580) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(Z)-pent-3-enyl] N-ethylcarbamate.

Molecular Properties

Compound Name[(Z)-pent-3-enyl] N-ethylcarbamate
PubChem CID170200580
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(Z)-pent-3-enyl] N-ethylcarbamate
SMILESC/C=C\CCOC(=O)NCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-11-8(10)9-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3-
InChIKeyLBRRYPOODJODSL-HYXAFXHYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-pent-3-enyl] N-ethylcarbamate 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 [(Z)-pent-3-enyl] N-ethylcarbamate?
The IUPAC name of [(Z)-pent-3-enyl] N-ethylcarbamate (CID 170200580) is [(Z)-pent-3-enyl] N-ethylcarbamate.
What is the SMILES notation for [(Z)-pent-3-enyl] N-ethylcarbamate?
The canonical SMILES for [(Z)-pent-3-enyl] N-ethylcarbamate is C/C=C\CCOC(=O)NCC.
What is the InChIKey of [(Z)-pent-3-enyl] N-ethylcarbamate?
The InChIKey is LBRRYPOODJODSL-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6-7-11-8(10)9-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3-.
What are the key properties of [(Z)-pent-3-enyl] N-ethylcarbamate?
[(Z)-pent-3-enyl] N-ethylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-3-enyl] N-ethylcarbamate is sourced from PubChem (CID 170200580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).