ethyl 5-amino-1H-pyrrole-2-carboxylate

C7H10N2O2 — CID 12066244

IUPACethyl 5-amino-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1ccc(N)[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2,8H2,1H3
InChIKeyBZAJPZLNUKGPFS-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.77
Rot. Bonds2

About ethyl 5-amino-1H-pyrrole-2-carboxylate

ethyl 5-amino-1H-pyrrole-2-carboxylate (PubChem CID 12066244) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl 5-amino-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1H-pyrrole-2-carboxylate
PubChem CID12066244
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl 5-amino-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1ccc(N)[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2,8H2,1H3
InChIKeyBZAJPZLNUKGPFS-UHFFFAOYSA-N
XLogP0.77
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 5-amino-1H-pyrrole-2-carboxylate (CID 12066244) is ethyl 5-amino-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 5-amino-1H-pyrrole-2-carboxylate is CCOC(=O)c1ccc(N)[nH]1.
What is the InChIKey of ethyl 5-amino-1H-pyrrole-2-carboxylate?
The InChIKey is BZAJPZLNUKGPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2,8H2,1H3.
What are the key properties of ethyl 5-amino-1H-pyrrole-2-carboxylate?
ethyl 5-amino-1H-pyrrole-2-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 12066244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).