(2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine

C9H17NO — CID 143698394

IUPAC(2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCC[C@H]1COC
InChIInChI=1S/C9H17NO/c1-8(2)10-6-4-5-9(10)7-11-3/h9H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeySTWHMMPVKCDCIU-VIFPVBQESA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds3

About (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine

(2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine (PubChem CID 143698394) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
PubChem CID143698394
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCC[C@H]1COC
InChIInChI=1S/C9H17NO/c1-8(2)10-6-4-5-9(10)7-11-3/h9H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeySTWHMMPVKCDCIU-VIFPVBQESA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
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-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 10888593
(2S)-2-(methoxymethyl)-1-(3-methylbuta-1,3-dien-2-yl)pyrrolidine
CID 11745254
(s)-(2-Methoxymethyl-1-pyrrolidinyl)-acrylonitrile
CID 13925014
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
4-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 73030485
2-(Methoxymethyl)-1-prop-2-enylpyrrolidine
CID 91368665
1-Ethyl-2-(methoxymethyl)pyrrolidine
CID 12716243
(2S)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 12716244
2-(Methoxymethyl)-1-propan-2-ylpyrrolidine
CID 18715757
(2S)-2-(methoxymethyl)-1-propylpyrrolidine
CID 56836187
1-Buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine
CID 57206021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine (CID 143698394) is (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is STWHMMPVKCDCIU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-6-4-5-9(10)7-11-3/h9H,1,4-7H2,2-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine?
(2S)-2-(methoxymethyl)-1-prop-1-en-2-ylpyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 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-1-en-2-ylpyrrolidine is sourced from PubChem (CID 143698394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).