ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine

C13H27NO — CID 156885523

IUPACethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine
SMILESC=C[C@@H]1CCCN1CCCOCC.CC
InChIInChI=1S/C11H21NO.C2H6/c1-3-11-7-5-8-12(11)9-6-10-13-4-2;1-2/h3,11H,1,4-10H2,2H3;1-2H3/t11-;/m1./s1
InChIKeyRJEXKHAWDTYBLZ-RFVHGSKJSA-N
MW213.36 g/mol
LogP3.09
Rot. Bonds6

About ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine

ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine (PubChem CID 156885523) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine.

Molecular Properties

Compound Nameethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine
PubChem CID156885523
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine
SMILESC=C[C@@H]1CCCN1CCCOCC.CC
InChIInChI=1S/C11H21NO.C2H6/c1-3-11-7-5-8-12(11)9-6-10-13-4-2;1-2/h3,11H,1,4-10H2,2H3;1-2H3/t11-;/m1./s1
InChIKeyRJEXKHAWDTYBLZ-RFVHGSKJSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)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-butyl-2-ethenylpyrrolidine
CID 11332575
1-dodecyl-2-ethenylpyrrolidine
CID 5143353
tert-butyl 3-[3-(2-ethenylpyrrolidin-1-yl)propoxy]propanoate
CID 166535252
2-ethenyl-1-propylpiperidine
CID 13181247
(2S)-2-ethenyl-1-methylpyrrolidine;propane
CID 172577719
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
[(2S)-1-(3-but-3-enoxypropyl)pyrrolidin-2-yl]methyl hypoiodite
CID 170107920
3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine
CID 66271295
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide
CID 156885488
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
CID 104566931

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine?
The IUPAC name of ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine (CID 156885523) is ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine.
What is the SMILES notation for ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine?
The canonical SMILES for ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine is C=C[C@@H]1CCCN1CCCOCC.CC.
What is the InChIKey of ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine?
The InChIKey is RJEXKHAWDTYBLZ-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-3-11-7-5-8-12(11)9-6-10-13-4-2;1-2/h3,11H,1,4-10H2,2H3;1-2H3/t11-;/m1./s1.
What are the key properties of ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine?
ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-ethenyl-1-(3-ethoxypropyl)pyrrolidine is sourced from PubChem (CID 156885523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).