1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine

C17H18N2O2 — CID 101448759

IUPAC1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)c(CN2CCCC2)c1
InChIInChI=1S/C17H18N2O2/c20-19(21)16-8-9-17(14-6-2-1-3-7-14)15(12-16)13-18-10-4-5-11-18/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyOFDUPVSOCAKJDS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.86
Rot. Bonds4

About 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine

1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine (PubChem CID 101448759) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine
PubChem CID101448759
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)c(CN2CCCC2)c1
InChIInChI=1S/C17H18N2O2/c20-19(21)16-8-9-17(14-6-2-1-3-7-14)15(12-16)13-18-10-4-5-11-18/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyOFDUPVSOCAKJDS-UHFFFAOYSA-N
XLogP3.86
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.86
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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Related Compounds

2-(bromomethyl)-4-nitro-1-phenylbenzene
CID 14317417
1-[(2-chloro-5-nitrophenyl)methyl]piperidine
CID 43350269
[2-(azepan-1-ylmethyl)-4-nitrophenyl]hydrazine
CID 62244610
4-[4-[[2-(4-chlorophenyl)-5-nitrophenyl]methyl]piperazin-1-yl]benzoic acid
CID 170329974
4-nitro-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 14293697
5-nitro-3-phenyl-2-(piperidin-1-ylmethyl)-1H-indole
CID 746856
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
CID 141390803
1-[(2-chlorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
CID 5093015
2-(5-nitro-2-pyrrolidin-1-ylphenyl)acetic acid
CID 70552620
1-[(2-chloro-5-nitrophenyl)methyl]-4-methyl-1,4-diazepane
CID 2838717
4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
CID 88772999
5-nitro-2-phenylbenzenesulfonyl chloride
CID 87546258

Frequently Asked Questions

What is the IUPAC name of 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine (CID 101448759) is 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine is O=[N+]([O-])c1ccc(-c2ccccc2)c(CN2CCCC2)c1.
What is the InChIKey of 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine?
The InChIKey is OFDUPVSOCAKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-19(21)16-8-9-17(14-6-2-1-3-7-14)15(12-16)13-18-10-4-5-11-18/h1-3,6-9,12H,4-5,10-11,13H2.
What are the key properties of 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine?
1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine has a molecular weight of 282.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 101448759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).