2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide

C9H8F3N3O3 — CID 90022583

IUPAC2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide
SMILESO=C(Cn1cccc1[N+](=O)[O-])NCC(F)=C(F)F
InChIInChI=1S/C9H8F3N3O3/c10-6(9(11)12)4-13-7(16)5-14-3-1-2-8(14)15(17)18/h1-3H,4-5H2,(H,13,16)
InChIKeyMOEAOWPNUNRABE-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.59
Rot. Bonds5

About 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide

2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide (PubChem CID 90022583) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.18 g/mol. Its IUPAC name is 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide
PubChem CID90022583
Molecular FormulaC9H8F3N3O3
Molecular Weight263.18 g/mol
Exact Mass263.05
IUPAC Name2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide
SMILESO=C(Cn1cccc1[N+](=O)[O-])NCC(F)=C(F)F
InChIInChI=1S/C9H8F3N3O3/c10-6(9(11)12)4-13-7(16)5-14-3-1-2-8(14)15(17)18/h1-3H,4-5H2,(H,13,16)
InChIKeyMOEAOWPNUNRABE-UHFFFAOYSA-N
XLogP1.59
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
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 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide?
The IUPAC name of 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide (CID 90022583) is 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide?
The canonical SMILES for 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide is O=C(Cn1cccc1[N+](=O)[O-])NCC(F)=C(F)F.
What is the InChIKey of 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide?
The InChIKey is MOEAOWPNUNRABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c10-6(9(11)12)4-13-7(16)5-14-3-1-2-8(14)15(17)18/h1-3H,4-5H2,(H,13,16).
What are the key properties of 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide?
2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide has a molecular weight of 263.18 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitropyrrol-1-yl)-N-(2,3,3-trifluoroprop-2-enyl)acetamide is sourced from PubChem (CID 90022583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).