6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol

C11H14N2O3 — CID 131336256

IUPAC6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
SMILESCc1ccc([N+](=O)[O-])c([C@H]2CCCN2)c1O
InChIInChI=1S/C11H14N2O3/c1-7-4-5-9(13(15)16)10(11(7)14)8-3-2-6-12-8/h4-5,8,12,14H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyGEDFYBIVJWNRPG-MRVPVSSYSA-N
MW222.24 g/mol
LogP2.03
Rot. Bonds2

About 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol

6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 131336256) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID131336256
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
SMILESCc1ccc([N+](=O)[O-])c([C@H]2CCCN2)c1O
InChIInChI=1S/C11H14N2O3/c1-7-4-5-9(13(15)16)10(11(7)14)8-3-2-6-12-8/h4-5,8,12,14H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyGEDFYBIVJWNRPG-MRVPVSSYSA-N
XLogP2.03
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 66519065
(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
CID 66518975
6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84684983
2-[(2S)-azetidin-2-yl]-6-chloro-3-nitrophenol
CID 131374449
3-nitro-5-[(2R)-pyrrolidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171195837
2-hydroxy-4-methyl-3-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519490
(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
CID 66519018
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
4-hydroxy-3-nitro-5-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 171259776
3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84782064
4-bromo-2-nitro-6-[(2S)-piperidin-2-yl]phenol;hydrochloride
CID 171195223

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol (CID 131336256) is 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol is Cc1ccc([N+](=O)[O-])c([C@H]2CCCN2)c1O.
What is the InChIKey of 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is GEDFYBIVJWNRPG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-4-5-9(13(15)16)10(11(7)14)8-3-2-6-12-8/h4-5,8,12,14H,2-3,6H2,1H3/t8-/m1/s1.
What are the key properties of 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol?
6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 222.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 131336256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).