(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine

C11H14N2O2 — CID 66518975

IUPAC(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
SMILESCc1ccc([C@H]2CCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O2/c1-8-4-5-9(7-11(8)13(14)15)10-3-2-6-12-10/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1
InChIKeyDUBNHJOMTCFKSM-SNVBAGLBSA-N
MW206.25 g/mol
LogP2.33
Rot. Bonds2

About (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine

(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine (PubChem CID 66518975) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
PubChem CID66518975
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
SMILESCc1ccc([C@H]2CCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O2/c1-8-4-5-9(7-11(8)13(14)15)10-3-2-6-12-10/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1
InChIKeyDUBNHJOMTCFKSM-SNVBAGLBSA-N
XLogP2.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
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

2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66518857
(2R)-2-(4-methyl-3-nitrophenyl)piperazine
CID 171194425
(2R)-2-(4-chloro-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195947
(2S)-2-(4-methyl-3-nitrophenyl)piperazine;hydrochloride
CID 171193790
(2S)-2-(4-bromo-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171196352
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879
(2S)-2-(3-methyl-4-nitrophenyl)azetidine
CID 130744358
2-(3-methyl-4-nitrophenyl)azetidine
CID 130043332
6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 131336256
2-(3-methoxy-4-nitrophenyl)azepane
CID 113452612
4-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541762
(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
CID 66519018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine?
The IUPAC name of (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine (CID 66518975) is (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine is Cc1ccc([C@H]2CCCN2)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine?
The InChIKey is DUBNHJOMTCFKSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-4-5-9(7-11(8)13(14)15)10-3-2-6-12-10/h4-5,7,10,12H,2-3,6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine?
(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine has a molecular weight of 206.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine is sourced from PubChem (CID 66518975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).