(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine

C9H15NO — CID 57110961

IUPAC(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine
SMILESC#CCN1CCC[C@H]1COC
InChIInChI=1S/C9H15NO/c1-3-6-10-7-4-5-9(10)8-11-2/h1,9H,4-8H2,2H3/t9-/m0/s1
InChIKeyXSXGVVNOCWAISP-VIFPVBQESA-N
MW153.23 g/mol
LogP0.73
Rot. Bonds3

About (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine

(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine (PubChem CID 57110961) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine
PubChem CID57110961
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine
SMILESC#CCN1CCC[C@H]1COC
InChIInChI=1S/C9H15NO/c1-3-6-10-7-4-5-9(10)8-11-2/h1,9H,4-8H2,2H3/t9-/m0/s1
InChIKeyXSXGVVNOCWAISP-VIFPVBQESA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine (CID 57110961) is (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine is C#CCN1CCC[C@H]1COC.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine?
The InChIKey is XSXGVVNOCWAISP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-10-7-4-5-9(10)8-11-2/h1,9H,4-8H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine?
(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine has a molecular weight of 153.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine is sourced from PubChem (CID 57110961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).