(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine

C11H21NO — CID 15372847

IUPAC(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
SMILESC/C=C(\CC)N1CCC[C@H]1COC
InChIInChI=1S/C11H21NO/c1-4-10(5-2)12-8-6-7-11(12)9-13-3/h4,11H,5-9H2,1-3H3/b10-4+/t11-/m0/s1
InChIKeyHRGCRJQTUGUOSZ-INJWIWPUSA-N
MW183.30 g/mol
LogP2.41
Rot. Bonds4

About (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine

(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine (PubChem CID 15372847) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
PubChem CID15372847
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
SMILESC/C=C(\CC)N1CCC[C@H]1COC
InChIInChI=1S/C11H21NO/c1-4-10(5-2)12-8-6-7-11(12)9-13-3/h4,11H,5-9H2,1-3H3/b10-4+/t11-/m0/s1
InChIKeyHRGCRJQTUGUOSZ-INJWIWPUSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine (CID 15372847) is (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine is C/C=C(\CC)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine?
The InChIKey is HRGCRJQTUGUOSZ-INJWIWPUSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(5-2)12-8-6-7-11(12)9-13-3/h4,11H,5-9H2,1-3H3/b10-4+/t11-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine?
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine has a molecular weight of 183.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine is sourced from PubChem (CID 15372847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).