propyl N-but-2-enylidenecarbamate

C8H13NO2 — CID 123754289

IUPACpropyl N-but-2-enylidenecarbamate
SMILESCC=CC=NC(=O)OCCC
InChIInChI=1S/C8H13NO2/c1-3-5-6-9-8(10)11-7-4-2/h3,5-6H,4,7H2,1-2H3
InChIKeyFSFYPEMNGXNPFG-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.18
Rot. Bonds3

About propyl N-but-2-enylidenecarbamate

propyl N-but-2-enylidenecarbamate (PubChem CID 123754289) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is propyl N-but-2-enylidenecarbamate.

Molecular Properties

Compound Namepropyl N-but-2-enylidenecarbamate
PubChem CID123754289
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namepropyl N-but-2-enylidenecarbamate
SMILESCC=CC=NC(=O)OCCC
InChIInChI=1S/C8H13NO2/c1-3-5-6-9-8(10)11-7-4-2/h3,5-6H,4,7H2,1-2H3
InChIKeyFSFYPEMNGXNPFG-UHFFFAOYSA-N
XLogP2.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl N-but-2-enylidenecarbamate?
The IUPAC name of propyl N-but-2-enylidenecarbamate (CID 123754289) is propyl N-but-2-enylidenecarbamate.
What is the SMILES notation for propyl N-but-2-enylidenecarbamate?
The canonical SMILES for propyl N-but-2-enylidenecarbamate is CC=CC=NC(=O)OCCC.
What is the InChIKey of propyl N-but-2-enylidenecarbamate?
The InChIKey is FSFYPEMNGXNPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-6-9-8(10)11-7-4-2/h3,5-6H,4,7H2,1-2H3.
What are the key properties of propyl N-but-2-enylidenecarbamate?
propyl N-but-2-enylidenecarbamate has a molecular weight of 155.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-but-2-enylidenecarbamate is sourced from PubChem (CID 123754289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).