ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine

C10H21NO — CID 176568687

IUPACethane;2-(ethoxymethyl)-4-methylidenepyrrolidine
SMILESC=C1CNC(COCC)C1.CC
InChIInChI=1S/C8H15NO.C2H6/c1-3-10-6-8-4-7(2)5-9-8;1-2/h8-9H,2-6H2,1H3;1-2H3
InChIKeyJXAKFVKOGGEBRJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds3

About ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine

ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine (PubChem CID 176568687) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine.

Molecular Properties

Compound Nameethane;2-(ethoxymethyl)-4-methylidenepyrrolidine
PubChem CID176568687
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;2-(ethoxymethyl)-4-methylidenepyrrolidine
SMILESC=C1CNC(COCC)C1.CC
InChIInChI=1S/C8H15NO.C2H6/c1-3-10-6-8-4-7(2)5-9-8;1-2/h8-9H,2-6H2,1H3;1-2H3
InChIKeyJXAKFVKOGGEBRJ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-(difluoromethylidene)-2-(methoxymethyl)pyrrolidine
CID 156243083
Tert-butyl-dimethyl-[(4-methylidenepyrrolidin-2-yl)methoxy]silane
CID 22046628
(2S)-2-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-4-methylenepyrrolidine
CID 58400350
2-(Pent-4-enoxymethyl)pyrrolidine
CID 64313140
N-(2-methylidenebutyl)oxolan-3-amine
CID 80712888
N-(3-methyl-2-methylidenebut-3-enyl)oxolan-3-amine
CID 90880975
2-(1-Methoxyethenyl)pyrrolidine
CID 91128615
N-(oxolan-2-ylmethyl)pent-4-en-2-amine
CID 116039434
N-(oxolan-2-ylmethyl)but-3-en-2-amine
CID 116145850
[(2S)-4-methylidenepyrrolidin-2-yl]methyl acetate
CID 118994793
4-Hex-5-enoxy-2-methylpyrrolidine
CID 123373294
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine?
The IUPAC name of ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine (CID 176568687) is ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine.
What is the SMILES notation for ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine?
The canonical SMILES for ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine is C=C1CNC(COCC)C1.CC.
What is the InChIKey of ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine?
The InChIKey is JXAKFVKOGGEBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-3-10-6-8-4-7(2)5-9-8;1-2/h8-9H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine?
ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine is sourced from PubChem (CID 176568687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).