2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide

C9H14N2O2 — CID 131089874

IUPAC2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide
SMILESCCc1c(C(=O)NOC)ccn1C
InChIInChI=1S/C9H14N2O2/c1-4-8-7(5-6-11(8)2)9(12)10-13-3/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyKHTGYMZABVLJDF-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds3

About 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide

2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide (PubChem CID 131089874) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide
PubChem CID131089874
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide
SMILESCCc1c(C(=O)NOC)ccn1C
InChIInChI=1S/C9H14N2O2/c1-4-8-7(5-6-11(8)2)9(12)10-13-3/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyKHTGYMZABVLJDF-UHFFFAOYSA-N
XLogP0.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide?
The IUPAC name of 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide (CID 131089874) is 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide is CCc1c(C(=O)NOC)ccn1C.
What is the InChIKey of 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide?
The InChIKey is KHTGYMZABVLJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-8-7(5-6-11(8)2)9(12)10-13-3/h5-6H,4H2,1-3H3,(H,10,12).
What are the key properties of 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide?
2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 131089874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).