2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline

C10H13N3O2 — CID 66518857

IUPAC2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline
SMILESNc1ccc([C@H]2CCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c11-8-4-3-7(6-10(8)13(14)15)9-2-1-5-12-9/h3-4,6,9,12H,1-2,5,11H2/t9-/m1/s1
InChIKeySNCOZPVAJHDTCI-SECBINFHSA-N
MW207.23 g/mol
LogP1.60
Rot. Bonds2

About 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline

2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline (PubChem CID 66518857) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline.

Molecular Properties

Compound Name2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline
PubChem CID66518857
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline
SMILESNc1ccc([C@H]2CCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c11-8-4-3-7(6-10(8)13(14)15)9-2-1-5-12-9/h3-4,6,9,12H,1-2,5,11H2/t9-/m1/s1
InChIKeySNCOZPVAJHDTCI-SECBINFHSA-N
XLogP1.60
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
CID 66518975
(2R)-2-(4-chloro-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195947
(2S)-2-(4-bromo-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171196352
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879
3-nitro-5-piperidin-2-ylpyridin-2-amine
CID 142970539
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
3-nitro-5-[(2R)-pyrrolidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171195837
2-(3-methoxy-4-nitrophenyl)azepane
CID 113452612
(2S)-2-(4-fluoro-3-nitrophenyl)azetidine
CID 55278282
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
4-[(2S)-azetidin-2-yl]-2-nitrophenol;hydrochloride
CID 171196666
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline?
The IUPAC name of 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline (CID 66518857) is 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline.
What is the SMILES notation for 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline?
The canonical SMILES for 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline is Nc1ccc([C@H]2CCCN2)cc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline?
The InChIKey is SNCOZPVAJHDTCI-SECBINFHSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8-4-3-7(6-10(8)13(14)15)9-2-1-5-12-9/h3-4,6,9,12H,1-2,5,11H2/t9-/m1/s1.
What are the key properties of 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline?
2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline has a molecular weight of 207.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline is sourced from PubChem (CID 66518857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).