(2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine

C12H16N2O3S — CID 102461490

IUPAC(2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine
SMILESCOC[C@H]1CCCN1/C=C/c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C12H16N2O3S/c1-17-9-10-3-2-7-13(10)8-6-11-4-5-12(18-11)14(15)16/h4-6,8,10H,2-3,7,9H2,1H3/b8-6+/t10-/m1/s1
InChIKeyDXLPTSXYEIOKIT-QEHWCHDUSA-N
MW268.34 g/mol
LogP2.74
Rot. Bonds5

About (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine

(2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine (PubChem CID 102461490) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine
PubChem CID102461490
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine
SMILESCOC[C@H]1CCCN1/C=C/c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C12H16N2O3S/c1-17-9-10-3-2-7-13(10)8-6-11-4-5-12(18-11)14(15)16/h4-6,8,10H,2-3,7,9H2,1H3/b8-6+/t10-/m1/s1
InChIKeyDXLPTSXYEIOKIT-QEHWCHDUSA-N
XLogP2.74
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine 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

1,4-bis[(E)-2-(5-nitrothiophen-2-yl)ethenyl]piperazine
CID 11338346
N-methoxy-2-(5-nitrothiophen-2-yl)ethenamine
CID 57045037
2-(methoxymethyl)pyrrolidine-1-carbothialdehyde
CID 74397654
[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 104869772
1-(2-chloro-6-nitrophenyl)-2-(methoxymethyl)piperidine
CID 163241518
1-[1-(5-nitrothiophen-2-yl)hex-1-en-2-yl]pyrrolidine
CID 71366725
2-(methoxymethyl)-1-(3-nitrophenyl)pyrrolidine;3-[2-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 158767207
5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 58714770
[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 95249563
(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide
CID 127217570
2-(methoxymethyl)-1-(oxetan-3-yl)pyrrolidine
CID 147106850
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine?
The IUPAC name of (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine (CID 102461490) is (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine?
The canonical SMILES for (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine is COC[C@H]1CCCN1/C=C/c1ccc([N+](=O)[O-])s1.
What is the InChIKey of (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine?
The InChIKey is DXLPTSXYEIOKIT-QEHWCHDUSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-17-9-10-3-2-7-13(10)8-6-11-4-5-12(18-11)14(15)16/h4-6,8,10H,2-3,7,9H2,1H3/b8-6+/t10-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine?
(2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine has a molecular weight of 268.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 102461490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).