(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol

C11H14N2O3 — CID 56790457

IUPAC(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccccc1CN1CC[C@@H](O)C1
InChIInChI=1S/C11H14N2O3/c14-10-5-6-12(8-10)7-9-3-1-2-4-11(9)13(15)16/h1-4,10,14H,5-8H2/t10-/m1/s1
InChIKeyWFKLVBKPSQDSIM-SNVBAGLBSA-N
MW222.24 g/mol
LogP1.16
Rot. Bonds3

About (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol

(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol (PubChem CID 56790457) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
PubChem CID56790457
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccccc1CN1CC[C@@H](O)C1
InChIInChI=1S/C11H14N2O3/c14-10-5-6-12(8-10)7-9-3-1-2-4-11(9)13(15)16/h1-4,10,14H,5-8H2/t10-/m1/s1
InChIKeyWFKLVBKPSQDSIM-SNVBAGLBSA-N
XLogP1.16
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.16
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'}

Analyze (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905304
1-[(2,4-dinitrophenyl)methyl]pyrrolidin-3-ol
CID 66220935
1-[[2-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 107351251
N-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905707
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
1-[(2-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908068
2-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63905463
4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol
CID 102959518
2-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]acetic acid
CID 62689776
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-6-nitrobenzoic acid
CID 102959385
3-methyl-1-[(2-nitrophenyl)methyl]piperidin-4-one
CID 114500416

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol (CID 56790457) is (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol is O=[N+]([O-])c1ccccc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is WFKLVBKPSQDSIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-5-6-12(8-10)7-9-3-1-2-4-11(9)13(15)16/h1-4,10,14H,5-8H2/t10-/m1/s1.
What are the key properties of (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 222.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 56790457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).