ethyl N-(1H-imidazol-2-yl)carbamate

C6H9N3O2 — CID 20501193

IUPACethyl N-(1H-imidazol-2-yl)carbamate
SMILESCCOC(=O)Nc1ncc[nH]1
InChIInChI=1S/C6H9N3O2/c1-2-11-6(10)9-5-7-3-4-8-5/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyNMHBKSHIKGHTFR-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.98
Rot. Bonds2

About ethyl N-(1H-imidazol-2-yl)carbamate

ethyl N-(1H-imidazol-2-yl)carbamate (PubChem CID 20501193) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is ethyl N-(1H-imidazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1H-imidazol-2-yl)carbamate
PubChem CID20501193
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Nameethyl N-(1H-imidazol-2-yl)carbamate
SMILESCCOC(=O)Nc1ncc[nH]1
InChIInChI=1S/C6H9N3O2/c1-2-11-6(10)9-5-7-3-4-8-5/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyNMHBKSHIKGHTFR-UHFFFAOYSA-N
XLogP0.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1H-imidazol-2-yl)carbamate?
The IUPAC name of ethyl N-(1H-imidazol-2-yl)carbamate (CID 20501193) is ethyl N-(1H-imidazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1H-imidazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(1H-imidazol-2-yl)carbamate is CCOC(=O)Nc1ncc[nH]1.
What is the InChIKey of ethyl N-(1H-imidazol-2-yl)carbamate?
The InChIKey is NMHBKSHIKGHTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-11-6(10)9-5-7-3-4-8-5/h3-4H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of ethyl N-(1H-imidazol-2-yl)carbamate?
ethyl N-(1H-imidazol-2-yl)carbamate has a molecular weight of 155.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1H-imidazol-2-yl)carbamate is sourced from PubChem (CID 20501193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).