1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine

C14H18ClN3O2 — CID 104839330

IUPAC1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESO=[N+]([O-])c1c(Cl)cccc1N1CCCC1C1CCCN1
InChIInChI=1S/C14H18ClN3O2/c15-10-4-1-6-13(14(10)18(19)20)17-9-3-7-12(17)11-5-2-8-16-11/h1,4,6,11-12,16H,2-3,5,7-9H2
InChIKeyNUFAUPDIFZWOJX-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.97
Rot. Bonds3

About 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine

1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 104839330) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID104839330
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESO=[N+]([O-])c1c(Cl)cccc1N1CCCC1C1CCCN1
InChIInChI=1S/C14H18ClN3O2/c15-10-4-1-6-13(14(10)18(19)20)17-9-3-7-12(17)11-5-2-8-16-11/h1,4,6,11-12,16H,2-3,5,7-9H2
InChIKeyNUFAUPDIFZWOJX-UHFFFAOYSA-N
XLogP2.97
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.97
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

2-nitro-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 104719959
(4aR,8aR)-1-(3-chloro-2-nitrophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727517
1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 115471846
(3aS,6aS)-1-(3-chloro-2-nitrophenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 104839303
1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62274794
1-(2-methyl-5-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 63254369
1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 63254283
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 55053823
2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 63254765
2-(3-chloro-2-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 104838905
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
2-bromo-6-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 114884751

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine (CID 104839330) is 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine is O=[N+]([O-])c1c(Cl)cccc1N1CCCC1C1CCCN1.
What is the InChIKey of 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is NUFAUPDIFZWOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-4-1-6-13(14(10)18(19)20)17-9-3-7-12(17)11-5-2-8-16-11/h1,4,6,11-12,16H,2-3,5,7-9H2.
What are the key properties of 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 295.77 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 104839330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).