1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine

C14H18BrN3O2 — CID 62274794

IUPAC1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESO=[N+]([O-])c1ccc(N2CCCC2C2CCCN2)c(Br)c1
InChIInChI=1S/C14H18BrN3O2/c15-11-9-10(18(19)20)5-6-13(11)17-8-2-4-14(17)12-3-1-7-16-12/h5-6,9,12,14,16H,1-4,7-8H2
InChIKeyFKEQKELNEIDXOM-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine

1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62274794) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62274794
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESO=[N+]([O-])c1ccc(N2CCCC2C2CCCN2)c(Br)c1
InChIInChI=1S/C14H18BrN3O2/c15-11-9-10(18(19)20)5-6-13(11)17-8-2-4-14(17)12-3-1-7-16-12/h5-6,9,12,14,16H,1-4,7-8H2
InChIKeyFKEQKELNEIDXOM-UHFFFAOYSA-N
XLogP3.08
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.08
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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Related Compounds

1-(2-methyl-5-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 63254369
1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 63254283
5-bromo-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 114893925
2-nitro-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 104719959
1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
CID 104839330
3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 104777419
1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 115471846
3-[1-(2-bromo-4-nitrophenyl)pyrrolidin-2-yl]propan-1-ol
CID 62468134
1-(2-bromo-4-nitrophenyl)-3-methylpiperidine-2-carboxylic acid
CID 107070303
1-[1-(2-bromo-4-nitrophenyl)piperidin-2-yl]ethanone
CID 63845348
2-bromo-6-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 114884751
[1-(2-bromo-4-nitrophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786717

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine (CID 62274794) is 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine is O=[N+]([O-])c1ccc(N2CCCC2C2CCCN2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is FKEQKELNEIDXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-11-9-10(18(19)20)5-6-13(11)17-8-2-4-14(17)12-3-1-7-16-12/h5-6,9,12,14,16H,1-4,7-8H2.
What are the key properties of 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 340.22 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62274794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).