ethene;(3S)-3-methoxypyrrolidine

C7H15NO — CID 145336336

IUPACethene;(3S)-3-methoxypyrrolidine
SMILESC=C.CO[C@H]1CCNC1
InChIInChI=1S/C5H11NO.C2H4/c1-7-5-2-3-6-4-5;1-2/h5-6H,2-4H2,1H3;1-2H2/t5-;/m0./s1
InChIKeyDOETWWGJKOWCJT-JEDNCBNOSA-N
MW129.20 g/mol
LogP0.80
Rot. Bonds1

About ethene;(3S)-3-methoxypyrrolidine

ethene;(3S)-3-methoxypyrrolidine (PubChem CID 145336336) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is ethene;(3S)-3-methoxypyrrolidine.

Molecular Properties

Compound Nameethene;(3S)-3-methoxypyrrolidine
PubChem CID145336336
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameethene;(3S)-3-methoxypyrrolidine
SMILESC=C.CO[C@H]1CCNC1
InChIInChI=1S/C5H11NO.C2H4/c1-7-5-2-3-6-4-5;1-2/h5-6H,2-4H2,1H3;1-2H2/t5-;/m0./s1
InChIKeyDOETWWGJKOWCJT-JEDNCBNOSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;(3S)-3-methoxypyrrolidine 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)-3-methoxypyrrolidine;hydrate
CID 164870177
azetidine;3-methoxypyrrolidine
CID 143553472
3-methoxypiperidine;hydrochloride
CID 23142000
(3R)-3-(trideuteriomethoxy)pyrrolidine
CID 165149976
(3S)-3-methoxypiperidine;sulfane;hydrochloride
CID 157461038
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
3-ethoxypyrrolidine
CID 21333172
(3S)-3-ethoxypyrrolidine
CID 11116030
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 115460446
3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 64744772
ethane;3-ethoxypyrrolidine
CID 142624915

Frequently Asked Questions

What is the IUPAC name of ethene;(3S)-3-methoxypyrrolidine?
The IUPAC name of ethene;(3S)-3-methoxypyrrolidine (CID 145336336) is ethene;(3S)-3-methoxypyrrolidine.
What is the SMILES notation for ethene;(3S)-3-methoxypyrrolidine?
The canonical SMILES for ethene;(3S)-3-methoxypyrrolidine is C=C.CO[C@H]1CCNC1.
What is the InChIKey of ethene;(3S)-3-methoxypyrrolidine?
The InChIKey is DOETWWGJKOWCJT-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO.C2H4/c1-7-5-2-3-6-4-5;1-2/h5-6H,2-4H2,1H3;1-2H2/t5-;/m0./s1.
What are the key properties of ethene;(3S)-3-methoxypyrrolidine?
ethene;(3S)-3-methoxypyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3S)-3-methoxypyrrolidine is sourced from PubChem (CID 145336336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).