(2S)-2-(prop-2-enoxymethyl)pyrrolidine

C8H15NO — CID 39063094

IUPAC(2S)-2-(prop-2-enoxymethyl)pyrrolidine
SMILESC=CCOC[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-2-6-10-7-8-4-3-5-9-8/h2,8-9H,1,3-7H2/t8-/m0/s1
InChIKeyWXRANDINFRAUAE-QMMMGPOBSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds4

About (2S)-2-(prop-2-enoxymethyl)pyrrolidine

(2S)-2-(prop-2-enoxymethyl)pyrrolidine (PubChem CID 39063094) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-(prop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(prop-2-enoxymethyl)pyrrolidine
PubChem CID39063094
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-(prop-2-enoxymethyl)pyrrolidine
SMILESC=CCOC[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-2-6-10-7-8-4-3-5-9-8/h2,8-9H,1,3-7H2/t8-/m0/s1
InChIKeyWXRANDINFRAUAE-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(prop-2-enoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(prop-2-enoxymethyl)pyrrolidine (CID 39063094) is (2S)-2-(prop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(prop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(prop-2-enoxymethyl)pyrrolidine is C=CCOC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(prop-2-enoxymethyl)pyrrolidine?
The InChIKey is WXRANDINFRAUAE-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (2S)-2-(prop-2-enoxymethyl)pyrrolidine?
(2S)-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 (2S)-2-(prop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 39063094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).