2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine

C10H19NO — CID 164922064

IUPAC2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine
SMILESCC/C=C/C1CC(COC)CN1
InChIInChI=1S/C10H19NO/c1-3-4-5-10-6-9(7-11-10)8-12-2/h4-5,9-11H,3,6-8H2,1-2H3/b5-4+
InChIKeyOKPYVGNEZHFXNH-SNAWJCMRSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine

2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine (PubChem CID 164922064) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine
PubChem CID164922064
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine
SMILESCC/C=C/C1CC(COC)CN1
InChIInChI=1S/C10H19NO/c1-3-4-5-10-6-9(7-11-10)8-12-2/h4-5,9-11H,3,6-8H2,1-2H3/b5-4+
InChIKeyOKPYVGNEZHFXNH-SNAWJCMRSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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

N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
(3S,4R)-3-[(3Z)-hexa-1,3,5-trien-2-yl]-4-(methoxymethyl)pyrrolidine;molecular hydrogen
CID 142378623
(E)-2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine
CID 164921938
2-[(E)-3,3-dimethylbut-1-enyl]-4-(methoxymethyl)-1-methylpyrrolidine
CID 164922042
(4S)-4-(methoxymethyl)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 164922043
4-(methoxymethyl)-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 164922262
(4S)-4-(methoxymethyl)-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 164922622
(4R)-2-[(E)-3,3-dimethylbut-1-enyl]-4-(methoxymethyl)-1-methylpyrrolidine
CID 171590790
2-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridine
CID 173551440
N-(cyclohex-3-en-1-ylmethyl)-4-methoxybutan-2-amine
CID 61950360
N-ethyl-1-(oxolan-3-yl)prop-2-en-1-amine
CID 65589402
1-(oxolan-3-yl)-N-propylprop-2-en-1-amine
CID 65589603

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine?
The IUPAC name of 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine (CID 164922064) is 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine?
The canonical SMILES for 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine is CC/C=C/C1CC(COC)CN1.
What is the InChIKey of 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine?
The InChIKey is OKPYVGNEZHFXNH-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-10-6-9(7-11-10)8-12-2/h4-5,9-11H,3,6-8H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine?
2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 164922064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).