2-imidazol-1-ylethyl N,N-dimethylcarbamate

C8H13N3O2 — CID 852442

IUPAC2-imidazol-1-ylethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCn1ccnc1
InChIInChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3
InChIKeyWSDMJRGHLMKKID-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.58
Rot. Bonds3

About 2-imidazol-1-ylethyl N,N-dimethylcarbamate

2-imidazol-1-ylethyl N,N-dimethylcarbamate (PubChem CID 852442) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-imidazol-1-ylethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-imidazol-1-ylethyl N,N-dimethylcarbamate
PubChem CID852442
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-imidazol-1-ylethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCn1ccnc1
InChIInChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3
InChIKeyWSDMJRGHLMKKID-UHFFFAOYSA-N
XLogP0.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethyl N,N-dimethylcarbamate?
The IUPAC name of 2-imidazol-1-ylethyl N,N-dimethylcarbamate (CID 852442) is 2-imidazol-1-ylethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-imidazol-1-ylethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-imidazol-1-ylethyl N,N-dimethylcarbamate is CN(C)C(=O)OCCn1ccnc1.
What is the InChIKey of 2-imidazol-1-ylethyl N,N-dimethylcarbamate?
The InChIKey is WSDMJRGHLMKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-imidazol-1-ylethyl N,N-dimethylcarbamate?
2-imidazol-1-ylethyl N,N-dimethylcarbamate has a molecular weight of 183.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethyl N,N-dimethylcarbamate is sourced from PubChem (CID 852442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).