tert-butyl 2-methoxypyrrole-1-carboxylate

C10H15NO3 — CID 59047607

IUPACtert-butyl 2-methoxypyrrole-1-carboxylate
SMILESCOc1cccn1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4/h5-7H,1-4H3
InChIKeyGGLRRRANHPHDBM-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.28
Rot. Bonds1

About tert-butyl 2-methoxypyrrole-1-carboxylate

tert-butyl 2-methoxypyrrole-1-carboxylate (PubChem CID 59047607) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is tert-butyl 2-methoxypyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methoxypyrrole-1-carboxylate
PubChem CID59047607
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nametert-butyl 2-methoxypyrrole-1-carboxylate
SMILESCOc1cccn1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4/h5-7H,1-4H3
InChIKeyGGLRRRANHPHDBM-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-methoxypyrrole-1-carboxylate 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 tert-butyl 2-methoxypyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-methoxypyrrole-1-carboxylate (CID 59047607) is tert-butyl 2-methoxypyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methoxypyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-methoxypyrrole-1-carboxylate is COc1cccn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methoxypyrrole-1-carboxylate?
The InChIKey is GGLRRRANHPHDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4/h5-7H,1-4H3.
What are the key properties of tert-butyl 2-methoxypyrrole-1-carboxylate?
tert-butyl 2-methoxypyrrole-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxypyrrole-1-carboxylate is sourced from PubChem (CID 59047607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).