1-methoxy-4-nitro-2,3-dihydropyrrole

C5H8N2O3 — CID 57321865

IUPAC1-methoxy-4-nitro-2,3-dihydropyrrole
SMILESCON1C=C([N+](=O)[O-])CC1
InChIInChI=1S/C5H8N2O3/c1-10-6-3-2-5(4-6)7(8)9/h4H,2-3H2,1H3
InChIKeyZWIFQOVOYYZUOL-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.37
Rot. Bonds2

About 1-methoxy-4-nitro-2,3-dihydropyrrole

1-methoxy-4-nitro-2,3-dihydropyrrole (PubChem CID 57321865) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-methoxy-4-nitro-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methoxy-4-nitro-2,3-dihydropyrrole
PubChem CID57321865
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name1-methoxy-4-nitro-2,3-dihydropyrrole
SMILESCON1C=C([N+](=O)[O-])CC1
InChIInChI=1S/C5H8N2O3/c1-10-6-3-2-5(4-6)7(8)9/h4H,2-3H2,1H3
InChIKeyZWIFQOVOYYZUOL-UHFFFAOYSA-N
XLogP0.37
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-methoxy-4-nitro-2,3-dihydropyrrole?
The IUPAC name of 1-methoxy-4-nitro-2,3-dihydropyrrole (CID 57321865) is 1-methoxy-4-nitro-2,3-dihydropyrrole.
What is the SMILES notation for 1-methoxy-4-nitro-2,3-dihydropyrrole?
The canonical SMILES for 1-methoxy-4-nitro-2,3-dihydropyrrole is CON1C=C([N+](=O)[O-])CC1.
What is the InChIKey of 1-methoxy-4-nitro-2,3-dihydropyrrole?
The InChIKey is ZWIFQOVOYYZUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-10-6-3-2-5(4-6)7(8)9/h4H,2-3H2,1H3.
What are the key properties of 1-methoxy-4-nitro-2,3-dihydropyrrole?
1-methoxy-4-nitro-2,3-dihydropyrrole has a molecular weight of 144.13 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-nitro-2,3-dihydropyrrole is sourced from PubChem (CID 57321865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).