2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine

C11H19NO — CID 126845548

IUPAC2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine
SMILESC(=C/C1CCCN1)\C1CCOCC1
InChIInChI=1S/C11H19NO/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10/h3-4,10-12H,1-2,5-9H2/b4-3+
InChIKeyAHECCLVZJHVBPG-ONEGZZNKSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds2

About 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine

2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine (PubChem CID 126845548) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine
PubChem CID126845548
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine
SMILESC(=C/C1CCCN1)\C1CCOCC1
InChIInChI=1S/C11H19NO/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10/h3-4,10-12H,1-2,5-9H2/b4-3+
InChIKeyAHECCLVZJHVBPG-ONEGZZNKSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
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

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8-Oxa-1-azaspiro[4.5]dec-3-ene
CID 131324863
2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine
CID 164922064
2-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridine
CID 173551440
chromium;(2S,3R)-3-methyl-2-(3-methylbenzene-2-id-1-yl)pyrrolidine;4-methyloxane
CID 177146483
chromium;(2S,3R)-3-methyl-2-(3-methylbenzene-2-id-1-yl)pyrrolidine;3-methyloxane
CID 177146506
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
N-ethyl-1-(oxan-4-yl)prop-2-en-1-amine
CID 65589809
1-(oxan-4-yl)-N-propylprop-2-en-1-amine
CID 65589811
N-(oxan-4-ylmethyl)cyclohex-3-en-1-amine
CID 65700663
N-(oxolan-3-ylmethyl)cyclohex-3-en-1-amine
CID 65702069
N-ethyl-3-methyl-1-(oxolan-3-yl)but-2-en-1-amine
CID 79177737

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine?
The IUPAC name of 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine (CID 126845548) is 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine.
What is the SMILES notation for 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine?
The canonical SMILES for 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine is C(=C/C1CCCN1)\C1CCOCC1.
What is the InChIKey of 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine?
The InChIKey is AHECCLVZJHVBPG-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10/h3-4,10-12H,1-2,5-9H2/b4-3+.
What are the key properties of 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine?
2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine has a molecular weight of 181.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(oxan-4-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 126845548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).