2-(prop-2-enoxymethyl)pyrrolidine

C8H15NO — CID 62333040

IUPAC2-(prop-2-enoxymethyl)pyrrolidine
SMILESC=CCOCC1CCCN1
InChIInChI=1S/C8H15NO/c1-2-6-10-7-8-4-3-5-9-8/h2,8-9H,1,3-7H2
InChIKeyWXRANDINFRAUAE-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds4

About 2-(prop-2-enoxymethyl)pyrrolidine

2-(prop-2-enoxymethyl)pyrrolidine (PubChem CID 62333040) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)pyrrolidine
PubChem CID62333040
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(prop-2-enoxymethyl)pyrrolidine
SMILESC=CCOCC1CCCN1
InChIInChI=1S/C8H15NO/c1-2-6-10-7-8-4-3-5-9-8/h2,8-9H,1,3-7H2
InChIKeyWXRANDINFRAUAE-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidin-2-ylmethyl prop-2-enoate
CID 20078669
(2S)-2-(prop-2-enoxymethyl)pyrrolidine
CID 39063094
(2R)-2-(prop-2-enoxymethyl)pyrrolidine
CID 57985002
2-(Pent-4-enoxymethyl)pyrrolidine
CID 64313140
O-prop-2-enyl (2S)-pyrrolidine-2-carbothioate
CID 88128958
(2R)-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxymethyl]pyrrolidine
CID 144029622
(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 167030974
(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 39063097
2-[[(E)-3-chloroprop-2-enoxy]methyl]pyrrolidine
CID 62332848
2-(3-Methylbut-2-enoxymethyl)pyrrolidine
CID 62332849
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
2-[[(E)-but-2-enoxy]methyl]pyrrolidine
CID 62332852

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)pyrrolidine?
The IUPAC name of 2-(prop-2-enoxymethyl)pyrrolidine (CID 62333040) is 2-(prop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(prop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for 2-(prop-2-enoxymethyl)pyrrolidine is C=CCOCC1CCCN1.
What is the InChIKey of 2-(prop-2-enoxymethyl)pyrrolidine?
The InChIKey is WXRANDINFRAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-6-10-7-8-4-3-5-9-8/h2,8-9H,1,3-7H2.
What are the key properties of 2-(prop-2-enoxymethyl)pyrrolidine?
2-(prop-2-enoxymethyl)pyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 62333040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).