ethyl N-butan-2-ylidenecarbamate

C7H13NO2 — CID 174248943

IUPACethyl N-butan-2-ylidenecarbamate
SMILESCCOC(=O)N=C(C)CC
InChIInChI=1S/C7H13NO2/c1-4-6(3)8-7(9)10-5-2/h4-5H2,1-3H3
InChIKeyDQSCQKXNJCOHPR-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.01
Rot. Bonds2

About ethyl N-butan-2-ylidenecarbamate

ethyl N-butan-2-ylidenecarbamate (PubChem CID 174248943) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl N-butan-2-ylidenecarbamate.

Molecular Properties

Compound Nameethyl N-butan-2-ylidenecarbamate
PubChem CID174248943
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl N-butan-2-ylidenecarbamate
SMILESCCOC(=O)N=C(C)CC
InChIInChI=1S/C7H13NO2/c1-4-6(3)8-7(9)10-5-2/h4-5H2,1-3H3
InChIKeyDQSCQKXNJCOHPR-UHFFFAOYSA-N
XLogP2.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze ethyl N-butan-2-ylidenecarbamate 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 ethyl N-butan-2-ylidenecarbamate?
The IUPAC name of ethyl N-butan-2-ylidenecarbamate (CID 174248943) is ethyl N-butan-2-ylidenecarbamate.
What is the SMILES notation for ethyl N-butan-2-ylidenecarbamate?
The canonical SMILES for ethyl N-butan-2-ylidenecarbamate is CCOC(=O)N=C(C)CC.
What is the InChIKey of ethyl N-butan-2-ylidenecarbamate?
The InChIKey is DQSCQKXNJCOHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(3)8-7(9)10-5-2/h4-5H2,1-3H3.
What are the key properties of ethyl N-butan-2-ylidenecarbamate?
ethyl N-butan-2-ylidenecarbamate has a molecular weight of 143.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butan-2-ylidenecarbamate is sourced from PubChem (CID 174248943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).