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

C6H10N2O2 — CID 57105225

IUPAC1-ethyl-4-nitro-2,3-dihydropyrrole
SMILESCCN1C=C([N+](=O)[O-])CC1
InChIInChI=1S/C6H10N2O2/c1-2-7-4-3-6(5-7)8(9)10/h5H,2-4H2,1H3
InChIKeySRRWYEZNNOPMNO-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.83
Rot. Bonds2

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

1-ethyl-4-nitro-2,3-dihydropyrrole (PubChem CID 57105225) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-ethyl-4-nitro-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-ethyl-4-nitro-2,3-dihydropyrrole
PubChem CID57105225
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-ethyl-4-nitro-2,3-dihydropyrrole
SMILESCCN1C=C([N+](=O)[O-])CC1
InChIInChI=1S/C6H10N2O2/c1-2-7-4-3-6(5-7)8(9)10/h5H,2-4H2,1H3
InChIKeySRRWYEZNNOPMNO-UHFFFAOYSA-N
XLogP0.83
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.83
H-Bond Donors ≤ 50
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 1-ethyl-4-nitro-2,3-dihydropyrrole?
The IUPAC name of 1-ethyl-4-nitro-2,3-dihydropyrrole (CID 57105225) is 1-ethyl-4-nitro-2,3-dihydropyrrole.
What is the SMILES notation for 1-ethyl-4-nitro-2,3-dihydropyrrole?
The canonical SMILES for 1-ethyl-4-nitro-2,3-dihydropyrrole is CCN1C=C([N+](=O)[O-])CC1.
What is the InChIKey of 1-ethyl-4-nitro-2,3-dihydropyrrole?
The InChIKey is SRRWYEZNNOPMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-7-4-3-6(5-7)8(9)10/h5H,2-4H2,1H3.
What are the key properties of 1-ethyl-4-nitro-2,3-dihydropyrrole?
1-ethyl-4-nitro-2,3-dihydropyrrole has a molecular weight of 142.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-nitro-2,3-dihydropyrrole is sourced from PubChem (CID 57105225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).