3-[(3-nitrophenyl)methoxy]pyrrolidine

C11H14N2O3 — CID 18388249

IUPAC3-[(3-nitrophenyl)methoxy]pyrrolidine
SMILESO=[N+]([O-])c1cccc(COC2CCNC2)c1
InChIInChI=1S/C11H14N2O3/c14-13(15)10-3-1-2-9(6-10)8-16-11-4-5-12-7-11/h1-3,6,11-12H,4-5,7-8H2
InChIKeyVNMSHEPJLHXUFJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.47
Rot. Bonds4

About 3-[(3-nitrophenyl)methoxy]pyrrolidine

3-[(3-nitrophenyl)methoxy]pyrrolidine (PubChem CID 18388249) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[(3-nitrophenyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[(3-nitrophenyl)methoxy]pyrrolidine
PubChem CID18388249
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[(3-nitrophenyl)methoxy]pyrrolidine
SMILESO=[N+]([O-])c1cccc(COC2CCNC2)c1
InChIInChI=1S/C11H14N2O3/c14-13(15)10-3-1-2-9(6-10)8-16-11-4-5-12-7-11/h1-3,6,11-12H,4-5,7-8H2
InChIKeyVNMSHEPJLHXUFJ-UHFFFAOYSA-N
XLogP1.47
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.47
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-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
3-[2-[(3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795921
3-[(2-chloro-4-nitrophenyl)methoxy]pyrrolidine
CID 62327911
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825310
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746
2-[(3-nitrophenyl)methoxy]oxane
CID 10955574
3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
CID 62329388
(3S,4S)-4-(4-chlorophenyl)-3,4-bis[(3-nitrophenyl)methoxy]piperidine
CID 10006077

Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitrophenyl)methoxy]pyrrolidine?
The IUPAC name of 3-[(3-nitrophenyl)methoxy]pyrrolidine (CID 18388249) is 3-[(3-nitrophenyl)methoxy]pyrrolidine.
What is the SMILES notation for 3-[(3-nitrophenyl)methoxy]pyrrolidine?
The canonical SMILES for 3-[(3-nitrophenyl)methoxy]pyrrolidine is O=[N+]([O-])c1cccc(COC2CCNC2)c1.
What is the InChIKey of 3-[(3-nitrophenyl)methoxy]pyrrolidine?
The InChIKey is VNMSHEPJLHXUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-13(15)10-3-1-2-9(6-10)8-16-11-4-5-12-7-11/h1-3,6,11-12H,4-5,7-8H2.
What are the key properties of 3-[(3-nitrophenyl)methoxy]pyrrolidine?
3-[(3-nitrophenyl)methoxy]pyrrolidine has a molecular weight of 222.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitrophenyl)methoxy]pyrrolidine is sourced from PubChem (CID 18388249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).