ethyl N-butylidenecarbamate

C7H13NO2 — CID 56612191

IUPACethyl N-butylidenecarbamate
SMILESCCCC=NC(=O)OCC
InChIInChI=1S/C7H13NO2/c1-3-5-6-8-7(9)10-4-2/h6H,3-5H2,1-2H3
InChIKeyRJDRAOYZGVPWCN-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.01
Rot. Bonds3

About ethyl N-butylidenecarbamate

ethyl N-butylidenecarbamate (PubChem CID 56612191) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl N-butylidenecarbamate.

Molecular Properties

Compound Nameethyl N-butylidenecarbamate
PubChem CID56612191
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl N-butylidenecarbamate
SMILESCCCC=NC(=O)OCC
InChIInChI=1S/C7H13NO2/c1-3-5-6-8-7(9)10-4-2/h6H,3-5H2,1-2H3
InChIKeyRJDRAOYZGVPWCN-UHFFFAOYSA-N
XLogP2.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.01
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 ethyl N-butylidenecarbamate?
The IUPAC name of ethyl N-butylidenecarbamate (CID 56612191) is ethyl N-butylidenecarbamate.
What is the SMILES notation for ethyl N-butylidenecarbamate?
The canonical SMILES for ethyl N-butylidenecarbamate is CCCC=NC(=O)OCC.
What is the InChIKey of ethyl N-butylidenecarbamate?
The InChIKey is RJDRAOYZGVPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-6-8-7(9)10-4-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl N-butylidenecarbamate?
ethyl N-butylidenecarbamate has a molecular weight of 143.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butylidenecarbamate is sourced from PubChem (CID 56612191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).