[(E)-but-2-enyl] N,N-dimethylcarbamate

C7H13NO2 — CID 134880713

IUPAC[(E)-but-2-enyl] N,N-dimethylcarbamate
SMILESC/C=C/COC(=O)N(C)C
InChIInChI=1S/C7H13NO2/c1-4-5-6-10-7(9)8(2)3/h4-5H,6H2,1-3H3/b5-4+
InChIKeyNWSPOPMSNMDSBB-SNAWJCMRSA-N
MW143.19 g/mol
LogP1.26
Rot. Bonds2

About [(E)-but-2-enyl] N,N-dimethylcarbamate

[(E)-but-2-enyl] N,N-dimethylcarbamate (PubChem CID 134880713) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is [(E)-but-2-enyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(E)-but-2-enyl] N,N-dimethylcarbamate
PubChem CID134880713
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name[(E)-but-2-enyl] N,N-dimethylcarbamate
SMILESC/C=C/COC(=O)N(C)C
InChIInChI=1S/C7H13NO2/c1-4-5-6-10-7(9)8(2)3/h4-5H,6H2,1-3H3/b5-4+
InChIKeyNWSPOPMSNMDSBB-SNAWJCMRSA-N
XLogP1.26
TPSA29.54 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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] N,N-dimethylcarbamate?
The IUPAC name of [(E)-but-2-enyl] N,N-dimethylcarbamate (CID 134880713) is [(E)-but-2-enyl] N,N-dimethylcarbamate.
What is the SMILES notation for [(E)-but-2-enyl] N,N-dimethylcarbamate?
The canonical SMILES for [(E)-but-2-enyl] N,N-dimethylcarbamate is C/C=C/COC(=O)N(C)C.
What is the InChIKey of [(E)-but-2-enyl] N,N-dimethylcarbamate?
The InChIKey is NWSPOPMSNMDSBB-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-6-10-7(9)8(2)3/h4-5H,6H2,1-3H3/b5-4+.
What are the key properties of [(E)-but-2-enyl] N,N-dimethylcarbamate?
[(E)-but-2-enyl] N,N-dimethylcarbamate has a molecular weight of 143.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] N,N-dimethylcarbamate is sourced from PubChem (CID 134880713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).