decyl N-ethylidenecarbamate

C13H25NO2 — CID 123347411

IUPACdecyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCCCCCCCC
InChIInChI=1S/C13H25NO2/c1-3-5-6-7-8-9-10-11-12-16-13(15)14-4-2/h4H,3,5-12H2,1-2H3
InChIKeyWMTSRJRNNONUHJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.35
Rot. Bonds9

About decyl N-ethylidenecarbamate

decyl N-ethylidenecarbamate (PubChem CID 123347411) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is decyl N-ethylidenecarbamate.

Molecular Properties

Compound Namedecyl N-ethylidenecarbamate
PubChem CID123347411
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namedecyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCCCCCCCC
InChIInChI=1S/C13H25NO2/c1-3-5-6-7-8-9-10-11-12-16-13(15)14-4-2/h4H,3,5-12H2,1-2H3
InChIKeyWMTSRJRNNONUHJ-UHFFFAOYSA-N
XLogP4.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decyl N-ethylidenecarbamate?
The IUPAC name of decyl N-ethylidenecarbamate (CID 123347411) is decyl N-ethylidenecarbamate.
What is the SMILES notation for decyl N-ethylidenecarbamate?
The canonical SMILES for decyl N-ethylidenecarbamate is CC=NC(=O)OCCCCCCCCCC.
What is the InChIKey of decyl N-ethylidenecarbamate?
The InChIKey is WMTSRJRNNONUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-6-7-8-9-10-11-12-16-13(15)14-4-2/h4H,3,5-12H2,1-2H3.
What are the key properties of decyl N-ethylidenecarbamate?
decyl N-ethylidenecarbamate has a molecular weight of 227.35 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-ethylidenecarbamate is sourced from PubChem (CID 123347411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).