1-(3-nitrophenyl)pyrrolidine

C10H12N2O2 — CID 698267

IUPAC1-(3-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1cccc(N2CCCC2)c1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-5-3-4-9(8-10)11-6-1-2-7-11/h3-5,8H,1-2,6-7H2
InChIKeyGRNJGZQBTNJPIL-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.19
Rot. Bonds2

About 1-(3-nitrophenyl)pyrrolidine

1-(3-nitrophenyl)pyrrolidine (PubChem CID 698267) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(3-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-nitrophenyl)pyrrolidine
PubChem CID698267
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(3-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1cccc(N2CCCC2)c1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-5-3-4-9(8-10)11-6-1-2-7-11/h3-5,8H,1-2,6-7H2
InChIKeyGRNJGZQBTNJPIL-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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

1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)piperazine
CID 2760216
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620
2-(3-nitrophenyl)-1,3-dihydroisoindole
CID 698272
3-morpholin-4-ylaniline;4-(3-nitrophenyl)morpholine
CID 159730458
(3-nitrophenyl)-(4-pyrrolidin-1-ylphenyl)iodanium
CID 87065445
N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 113283121
1-(3-nitrophenyl)piperidin-2-one
CID 46786184
2-[4-(3-nitrophenyl)piperazin-1-yl]acetonitrile
CID 22330152

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)pyrrolidine?
The IUPAC name of 1-(3-nitrophenyl)pyrrolidine (CID 698267) is 1-(3-nitrophenyl)pyrrolidine.
What is the SMILES notation for 1-(3-nitrophenyl)pyrrolidine?
The canonical SMILES for 1-(3-nitrophenyl)pyrrolidine is O=[N+]([O-])c1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(3-nitrophenyl)pyrrolidine?
The InChIKey is GRNJGZQBTNJPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-12(14)10-5-3-4-9(8-10)11-6-1-2-7-11/h3-5,8H,1-2,6-7H2.
What are the key properties of 1-(3-nitrophenyl)pyrrolidine?
1-(3-nitrophenyl)pyrrolidine has a molecular weight of 192.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)pyrrolidine is sourced from PubChem (CID 698267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).