1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine

C11H19NO — CID 142360194

IUPAC1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
SMILESC=C(/C=C\C)OCC1CCCN1C
InChIInChI=1S/C11H19NO/c1-4-6-10(2)13-9-11-7-5-8-12(11)3/h4,6,11H,2,5,7-9H2,1,3H3/b6-4-
InChIKeyGZPLSWVSUYILPP-XQRVVYSFSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds4

About 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine

1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine (PubChem CID 142360194) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
PubChem CID142360194
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
SMILESC=C(/C=C\C)OCC1CCCN1C
InChIInChI=1S/C11H19NO/c1-4-6-10(2)13-9-11-7-5-8-12(11)3/h4,6,11H,2,5,7-9H2,1,3H3/b6-4-
InChIKeyGZPLSWVSUYILPP-XQRVVYSFSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(1-methylpyrrolidin-2-yl)methoxy]penta-1,3-dienyl]methanimine
CID 123498254
(2S)-1-methyl-2-(prop-2-enoxymethyl)pyrrolidine
CID 134553747
N-[(1E)-2-[(1-methylpyrrolidin-2-yl)methoxy]buta-1,3-dienyl]methanimine
CID 143552660
(2R)-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxymethyl]pyrrolidine
CID 144029622
ethene;1-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]pyrrolidine
CID 145663989
(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
CID 147822137
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-2-methylpyrrolidine-1-carbonitrile
CID 156893345
(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidin-4-ide;carbanide;uranium(2+)
CID 158197892
(2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
CID 158548625
(2R)-1-tert-butyl-2-(prop-2-enoxymethyl)pyrrolidine
CID 177768252
3-[(2S)-2-[[(E)-but-2-enoxy]methyl]pyrrolidin-1-yl]propanenitrile
CID 101730224
(2R)-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
CID 143435395

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine (CID 142360194) is 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine is C=C(/C=C\C)OCC1CCCN1C.
What is the InChIKey of 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine?
The InChIKey is GZPLSWVSUYILPP-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-10(2)13-9-11-7-5-8-12(11)3/h4,6,11H,2,5,7-9H2,1,3H3/b6-4-.
What are the key properties of 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine?
1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine is sourced from PubChem (CID 142360194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).