3-nitro-1-phenylpyrrolidine

C10H12N2O2 — CID 154333997

IUPAC3-nitro-1-phenylpyrrolidine
SMILESO=[N+]([O-])C1CCN(c2ccccc2)C1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-6-7-11(8-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyUCZABGIYBAKPRT-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.54
Rot. Bonds2

About 3-nitro-1-phenylpyrrolidine

3-nitro-1-phenylpyrrolidine (PubChem CID 154333997) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-nitro-1-phenylpyrrolidine.

Molecular Properties

Compound Name3-nitro-1-phenylpyrrolidine
PubChem CID154333997
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-nitro-1-phenylpyrrolidine
SMILESO=[N+]([O-])C1CCN(c2ccccc2)C1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-6-7-11(8-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyUCZABGIYBAKPRT-UHFFFAOYSA-N
XLogP1.54
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.54
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 3-nitro-1-phenylpyrrolidine?
The IUPAC name of 3-nitro-1-phenylpyrrolidine (CID 154333997) is 3-nitro-1-phenylpyrrolidine.
What is the SMILES notation for 3-nitro-1-phenylpyrrolidine?
The canonical SMILES for 3-nitro-1-phenylpyrrolidine is O=[N+]([O-])C1CCN(c2ccccc2)C1.
What is the InChIKey of 3-nitro-1-phenylpyrrolidine?
The InChIKey is UCZABGIYBAKPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-12(14)10-6-7-11(8-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 3-nitro-1-phenylpyrrolidine?
3-nitro-1-phenylpyrrolidine has a molecular weight of 192.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-phenylpyrrolidine is sourced from PubChem (CID 154333997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).