2-[[(E)-but-2-enoxy]methyl]pyrrolidine

C9H17NO — CID 62332852

IUPAC2-[[(E)-but-2-enoxy]methyl]pyrrolidine
SMILESC/C=C/COCC1CCCN1
InChIInChI=1S/C9H17NO/c1-2-3-7-11-8-9-5-4-6-10-9/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyZTNLPGIEUMNWJC-NSCUHMNNSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

About 2-[[(E)-but-2-enoxy]methyl]pyrrolidine

2-[[(E)-but-2-enoxy]methyl]pyrrolidine (PubChem CID 62332852) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[(E)-but-2-enoxy]methyl]pyrrolidine
PubChem CID62332852
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[[(E)-but-2-enoxy]methyl]pyrrolidine
SMILESC/C=C/COCC1CCCN1
InChIInChI=1S/C9H17NO/c1-2-3-7-11-8-9-5-4-6-10-9/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyZTNLPGIEUMNWJC-NSCUHMNNSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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

(4R)-4-ethyl-2-[(E)-prop-1-enyl]-1,3-oxazolidine
CID 10678340
(2S)-2-(prop-2-enoxymethyl)pyrrolidine
CID 39063094
(2R)-2-(prop-2-enoxymethyl)pyrrolidine
CID 57985002
2-(Prop-2-enoxymethyl)pyrrolidine
CID 62333040
2-(Pent-4-enoxymethyl)pyrrolidine
CID 64313140
O-prop-2-enyl (2S)-pyrrolidine-2-carbothioate
CID 88128958
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]oxymethyl]pyrrolidine
CID 142125216
(2R)-2-[[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxymethyl]pyrrolidine
CID 144029622
ethane;(2R)-2-[[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]oxymethyl]pyrrolidine
CID 145472648
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoxy]methyl]pyrrolidine?
The IUPAC name of 2-[[(E)-but-2-enoxy]methyl]pyrrolidine (CID 62332852) is 2-[[(E)-but-2-enoxy]methyl]pyrrolidine.
What is the SMILES notation for 2-[[(E)-but-2-enoxy]methyl]pyrrolidine?
The canonical SMILES for 2-[[(E)-but-2-enoxy]methyl]pyrrolidine is C/C=C/COCC1CCCN1.
What is the InChIKey of 2-[[(E)-but-2-enoxy]methyl]pyrrolidine?
The InChIKey is ZTNLPGIEUMNWJC-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-7-11-8-9-5-4-6-10-9/h2-3,9-10H,4-8H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enoxy]methyl]pyrrolidine?
2-[[(E)-but-2-enoxy]methyl]pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoxy]methyl]pyrrolidine is sourced from PubChem (CID 62332852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).