(2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine

C11H21NO — CID 10888593

IUPAC(2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCOC[C@@H]1CCCN1/C=C/C(C)C
InChIInChI=1S/C11H21NO/c1-10(2)6-8-12-7-4-5-11(12)9-13-3/h6,8,10-11H,4-5,7,9H2,1-3H3/b8-6+/t11-/m0/s1
InChIKeyYARYYTIGYOFRCB-IOCXFXADSA-N
MW183.29 g/mol
LogP2.27
Rot. Bonds4

About (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine

(2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 10888593) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID10888593
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCOC[C@@H]1CCCN1/C=C/C(C)C
InChIInChI=1S/C11H21NO/c1-10(2)6-8-12-7-4-5-11(12)9-13-3/h6,8,10-11H,4-5,7,9H2,1-3H3/b8-6+/t11-/m0/s1
InChIKeyYARYYTIGYOFRCB-IOCXFXADSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methoxymethyl)-1-prop-2-enylpyrrolidine
CID 170390869
(2S)-2-(methoxymethyl)-1-(3-methylbuta-1,3-dien-2-yl)pyrrolidine
CID 11745254
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
2-(Methoxymethyl)-1-prop-2-enylpyrrolidine
CID 91368665
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pent-4-ene-1-selone
CID 176426419
(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 12062258
(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine
CID 89289161
2-(Methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
CID 90784137
Ethane;2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
CID 143542118
(2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
CID 143698394
1-Ethenyl-2-(2-methylpropoxymethyl)pyrrolidine
CID 156140654
(2R,4R)-4-ethenyl-2-(methoxymethyl)-1-methylpyrrolidine
CID 156292606

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 10888593) is (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine is COC[C@@H]1CCCN1/C=C/C(C)C.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is YARYYTIGYOFRCB-IOCXFXADSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)6-8-12-7-4-5-11(12)9-13-3/h6,8,10-11H,4-5,7,9H2,1-3H3/b8-6+/t11-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
(2S)-2-(methoxymethyl)-1-[(E)-3-methylbut-1-enyl]pyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.27, 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)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 10888593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).