ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine

C13H29NO — CID 177009101

IUPACethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine
SMILESC=C1CC(C(C)OC)N(C)C1.CC.CC
InChIInChI=1S/C9H17NO.2C2H6/c1-7-5-9(8(2)11-4)10(3)6-7;2*1-2/h8-9H,1,5-6H2,2-4H3;2*1-2H3
InChIKeySVBGKVANZWTROB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.33
Rot. Bonds2

About ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine

ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine (PubChem CID 177009101) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine.

Molecular Properties

Compound Nameethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine
PubChem CID177009101
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine
SMILESC=C1CC(C(C)OC)N(C)C1.CC.CC
InChIInChI=1S/C9H17NO.2C2H6/c1-7-5-9(8(2)11-4)10(3)6-7;2*1-2/h8-9H,1,5-6H2,2-4H3;2*1-2H3
InChIKeySVBGKVANZWTROB-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.33
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

(2S)-2-[(1S)-1-ethoxyethyl]-1-methyl-4-methylidenepyrrolidine
CID 177009437
1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanethiol
CID 166984302
1-methyl-4-methylidene-2-(2-methylpropyl)pyrrolidine
CID 163972113
methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride
CID 175398230
(2R)-2-ethyl-1-methyl-4-methylidenepyrrolidine
CID 89010879
tert-butyl (2S)-2-(dihydroxymethyl)-4-methylidenepyrrolidine-1-carboxylate
CID 146518510
ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
CID 177009838
3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 145135094
ethane;2-methyl-3-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 177193029
1-ethyl-2-(1-methoxyethyl)-4-methylpiperazine
CID 175342115
(2R)-5-bromo-1,2-dimethyl-7-methylidene-1,4-diazocane
CID 170208209
(2R)-2-ethyl-4-methylidene-1-propan-2-ylpyrrolidine
CID 89094518

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine?
The IUPAC name of ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine (CID 177009101) is ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine.
What is the SMILES notation for ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine?
The canonical SMILES for ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine is C=C1CC(C(C)OC)N(C)C1.CC.CC.
What is the InChIKey of ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine?
The InChIKey is SVBGKVANZWTROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.2C2H6/c1-7-5-9(8(2)11-4)10(3)6-7;2*1-2/h8-9H,1,5-6H2,2-4H3;2*1-2H3.
What are the key properties of ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine?
ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine has a molecular weight of 215.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methoxyethyl)-1-methyl-4-methylidenepyrrolidine is sourced from PubChem (CID 177009101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).