(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine

C10H19NO — CID 147822137

IUPAC(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
SMILESC/C=C(/C)OC[C@@H]1CCCN1C
InChIInChI=1S/C10H19NO/c1-4-9(2)12-8-10-6-5-7-11(10)3/h4,10H,5-8H2,1-3H3/b9-4-/t10-/m0/s1
InChIKeyHPLBKJUZAUNBHF-FWAPLPHYSA-N
MW169.27 g/mol
LogP2.02
Rot. Bonds3

About (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine

(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine (PubChem CID 147822137) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
PubChem CID147822137
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
SMILESC/C=C(/C)OC[C@@H]1CCCN1C
InChIInChI=1S/C10H19NO/c1-4-9(2)12-8-10-6-5-7-11(10)3/h4,10H,5-8H2,1-3H3/b9-4-/t10-/m0/s1
InChIKeyHPLBKJUZAUNBHF-FWAPLPHYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-4,4-difluoro-1-methylpyrrolidine
CID 163867787
4,4-Difluoro-1-methyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 176926643
(2R)-2-(methoxymethyl)-1-prop-2-enylpyrrolidine
CID 170390869
2-(Methoxymethyl)-1-prop-2-enylpyrrolidine
CID 91368665
1-Buta-2,3-dienyl-2-(methoxymethyl)pyrrolidine
CID 57206021
1,4-Dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 59438974
1,3-Dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 59438976
1,2-Dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 59438977
2-(1-Ethoxyethenyl)-1-propan-2-ylpyrrolidine
CID 118501499
(2S)-1-methyl-2-(prop-2-enoxymethyl)pyrrolidine
CID 134553747
1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
CID 142360194
(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine
CID 143664316

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine (CID 147822137) is (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine is C/C=C(/C)OC[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine?
The InChIKey is HPLBKJUZAUNBHF-FWAPLPHYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(2)12-8-10-6-5-7-11(10)3/h4,10H,5-8H2,1-3H3/b9-4-/t10-/m0/s1.
What are the key properties of (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine?
(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine is sourced from PubChem (CID 147822137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).