(3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol

C7H14N2O — CID 118913381

IUPAC(3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol
SMILES[H]/N=C/[C@@H]1CN(CC)C[C@@H]1O
InChIInChI=1S/C7H14N2O/c1-2-9-4-6(3-8)7(10)5-9/h3,6-8,10H,2,4-5H2,1H3/b8-3+/t6-,7+/m1/s1
InChIKeyOAGVGVSMOWCLQF-HUIYDGNLSA-N
MW142.20 g/mol
LogP-0.05
Rot. Bonds2

About (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol

(3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol (PubChem CID 118913381) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol
PubChem CID118913381
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol
SMILES[H]/N=C/[C@@H]1CN(CC)C[C@@H]1O
InChIInChI=1S/C7H14N2O/c1-2-9-4-6(3-8)7(10)5-9/h3,6-8,10H,2,4-5H2,1H3/b8-3+/t6-,7+/m1/s1
InChIKeyOAGVGVSMOWCLQF-HUIYDGNLSA-N
XLogP-0.05
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol (CID 118913381) is (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol is [H]/N=C/[C@@H]1CN(CC)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol?
The InChIKey is OAGVGVSMOWCLQF-HUIYDGNLSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-9-4-6(3-8)7(10)5-9/h3,6-8,10H,2,4-5H2,1H3/b8-3+/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol?
(3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol has a molecular weight of 142.20 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-ethyl-4-methanimidoylpyrrolidin-3-ol is sourced from PubChem (CID 118913381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).