(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine

C10H19NO — CID 177009437

IUPAC(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine
SMILESC=C1C[C@@H]([C@H](C)OCC)N(C)C1
InChIInChI=1S/C10H19NO/c1-5-12-9(3)10-6-8(2)7-11(10)4/h9-10H,2,5-7H2,1,3-4H3/t9-,10-/m0/s1
InChIKeyWXWIBYDOPOIFIL-UWVGGRQHSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds3

About (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine

(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine (PubChem CID 177009437) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine
PubChem CID177009437
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine
SMILESC=C1C[C@@H]([C@H](C)OCC)N(C)C1
InChIInChI=1S/C10H19NO/c1-5-12-9(3)10-6-8(2)7-11(10)4/h9-10H,2,5-7H2,1,3-4H3/t9-,10-/m0/s1
InChIKeyWXWIBYDOPOIFIL-UWVGGRQHSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine
CID 177009101
1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol
CID 166984302
ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 176920826
(2R)-2-ethyl-1-methyl-4-methylidenepyrrolidine
CID 89010879
1-methyl-4-methylidene-2-(2-methylpropyl)pyrrolidine
CID 163972113
(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
CID 168995661
(2R)-2-ethyl-4-methylidene-1-propan-2-ylpyrrolidine
CID 89094518
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
3-(1-ethoxyethyl)oxolane
CID 11788363
(2R,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine
CID 177009658
2-ethoxypropane;zinc
CID 174321747
ethyl (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-4-methylidenepyrrolidine-2-carboxylate
CID 102465771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine?
The IUPAC name of (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine (CID 177009437) is (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine.
What is the SMILES notation for (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine?
The canonical SMILES for (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine is C=C1C[C@@H]([C@H](C)OCC)N(C)C1.
What is the InChIKey of (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine?
The InChIKey is WXWIBYDOPOIFIL-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-12-9(3)10-6-8(2)7-11(10)4/h9-10H,2,5-7H2,1,3-4H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine?
(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine is sourced from PubChem (CID 177009437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).