1-(2-chloro-5-nitrophenyl)pyrrolidine

C10H11ClN2O2 — CID 673948

IUPAC1-(2-chloro-5-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1ccc(Cl)c(N2CCCC2)c1
InChIInChI=1S/C10H11ClN2O2/c11-9-4-3-8(13(14)15)7-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyRJXLUPFQQSKLLB-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.85
Rot. Bonds2

About 1-(2-chloro-5-nitrophenyl)pyrrolidine

1-(2-chloro-5-nitrophenyl)pyrrolidine (PubChem CID 673948) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)pyrrolidine
PubChem CID673948
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-(2-chloro-5-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1ccc(Cl)c(N2CCCC2)c1
InChIInChI=1S/C10H11ClN2O2/c11-9-4-3-8(13(14)15)7-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyRJXLUPFQQSKLLB-UHFFFAOYSA-N
XLogP2.85
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.85
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

1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
1-(2-methylsulfonyl-5-nitrophenyl)pyrrolidine
CID 75486201
1-(2-isocyano-5-nitrophenyl)pyrrolidine
CID 176760678
(2-chloro-5-nitrophenyl)-[4-(2,5-dichlorophenyl)piperazin-1-yl]methanone
CID 165435939
2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
1-[4-(2-chloro-4-nitrophenyl)-1,4-diazepan-1-yl]ethanone
CID 4117461
4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 168689091
2-(5-nitro-2-pyrrolidin-1-ylphenyl)acetic acid
CID 70552620
1-[(2-chloro-5-nitrophenyl)methyl]piperidine
CID 43350269

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)pyrrolidine?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)pyrrolidine (CID 673948) is 1-(2-chloro-5-nitrophenyl)pyrrolidine.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)pyrrolidine?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)pyrrolidine is O=[N+]([O-])c1ccc(Cl)c(N2CCCC2)c1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)pyrrolidine?
The InChIKey is RJXLUPFQQSKLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-9-4-3-8(13(14)15)7-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(2-chloro-5-nitrophenyl)pyrrolidine?
1-(2-chloro-5-nitrophenyl)pyrrolidine has a molecular weight of 226.66 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)pyrrolidine is sourced from PubChem (CID 673948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).