ethyl N-pent-4-enylcarbamate

C8H15NO2 — CID 10855731

IUPACethyl N-pent-4-enylcarbamate
SMILESC=CCCCNC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-9-8(10)11-4-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyMXKXZVJYSVEZSA-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.70
Rot. Bonds5

About ethyl N-pent-4-enylcarbamate

ethyl N-pent-4-enylcarbamate (PubChem CID 10855731) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl N-pent-4-enylcarbamate.

Molecular Properties

Compound Nameethyl N-pent-4-enylcarbamate
PubChem CID10855731
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl N-pent-4-enylcarbamate
SMILESC=CCCCNC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-9-8(10)11-4-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyMXKXZVJYSVEZSA-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-pent-4-enylcarbamate?
The IUPAC name of ethyl N-pent-4-enylcarbamate (CID 10855731) is ethyl N-pent-4-enylcarbamate.
What is the SMILES notation for ethyl N-pent-4-enylcarbamate?
The canonical SMILES for ethyl N-pent-4-enylcarbamate is C=CCCCNC(=O)OCC.
What is the InChIKey of ethyl N-pent-4-enylcarbamate?
The InChIKey is MXKXZVJYSVEZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6-7-9-8(10)11-4-2/h3H,1,4-7H2,2H3,(H,9,10).
What are the key properties of ethyl N-pent-4-enylcarbamate?
ethyl N-pent-4-enylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-pent-4-enylcarbamate is sourced from PubChem (CID 10855731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).