2-(1-methoxyethyl)-3-nitro-1H-pyrrole

C7H10N2O3 — CID 68855034

IUPAC2-(1-methoxyethyl)-3-nitro-1H-pyrrole
SMILESCOC(C)c1[nH]ccc1[N+](=O)[O-]
InChIInChI=1S/C7H10N2O3/c1-5(12-2)7-6(9(10)11)3-4-8-7/h3-5,8H,1-2H3
InChIKeyRSFBUPDWBGNGAS-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-methoxyethyl)-3-nitro-1H-pyrrole

2-(1-methoxyethyl)-3-nitro-1H-pyrrole (PubChem CID 68855034) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-3-nitro-1H-pyrrole.

Molecular Properties

Compound Name2-(1-methoxyethyl)-3-nitro-1H-pyrrole
PubChem CID68855034
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(1-methoxyethyl)-3-nitro-1H-pyrrole
SMILESCOC(C)c1[nH]ccc1[N+](=O)[O-]
InChIInChI=1S/C7H10N2O3/c1-5(12-2)7-6(9(10)11)3-4-8-7/h3-5,8H,1-2H3
InChIKeyRSFBUPDWBGNGAS-UHFFFAOYSA-N
XLogP1.63
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-3-nitro-1H-pyrrole?
The IUPAC name of 2-(1-methoxyethyl)-3-nitro-1H-pyrrole (CID 68855034) is 2-(1-methoxyethyl)-3-nitro-1H-pyrrole.
What is the SMILES notation for 2-(1-methoxyethyl)-3-nitro-1H-pyrrole?
The canonical SMILES for 2-(1-methoxyethyl)-3-nitro-1H-pyrrole is COC(C)c1[nH]ccc1[N+](=O)[O-].
What is the InChIKey of 2-(1-methoxyethyl)-3-nitro-1H-pyrrole?
The InChIKey is RSFBUPDWBGNGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(12-2)7-6(9(10)11)3-4-8-7/h3-5,8H,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-3-nitro-1H-pyrrole?
2-(1-methoxyethyl)-3-nitro-1H-pyrrole has a molecular weight of 170.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-3-nitro-1H-pyrrole is sourced from PubChem (CID 68855034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).