[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol

C6H12N2O2 — CID 88534958

IUPAC[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol
SMILESCN1C[C@H](N=O)C[C@H]1CO
InChIInChI=1S/C6H12N2O2/c1-8-3-5(7-10)2-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyRIWMBQPTUXBSDF-RITPCOANSA-N
MW144.17 g/mol
LogP-0.18
Rot. Bonds2

About [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol

[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol (PubChem CID 88534958) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol
PubChem CID88534958
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol
SMILESCN1C[C@H](N=O)C[C@H]1CO
InChIInChI=1S/C6H12N2O2/c1-8-3-5(7-10)2-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyRIWMBQPTUXBSDF-RITPCOANSA-N
XLogP-0.18
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol (CID 88534958) is [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol is CN1C[C@H](N=O)C[C@H]1CO.
What is the InChIKey of [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol?
The InChIKey is RIWMBQPTUXBSDF-RITPCOANSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-3-5(7-10)2-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol?
[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol has a molecular weight of 144.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol is sourced from PubChem (CID 88534958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).