(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine

C9H17NO — CID 39063097

IUPAC(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
SMILESC=C(C)COC[C@@H]1CCCN1
InChIInChI=1S/C9H17NO/c1-8(2)6-11-7-9-4-3-5-10-9/h9-10H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyDMXFHQTXCWGQIS-VIFPVBQESA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

About (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine

(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine (PubChem CID 39063097) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
PubChem CID39063097
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
SMILESC=C(C)COC[C@@H]1CCCN1
InChIInChI=1S/C9H17NO/c1-8(2)6-11-7-9-4-3-5-10-9/h9-10H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyDMXFHQTXCWGQIS-VIFPVBQESA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(prop-2-enoxymethyl)pyrrolidine
CID 39063094
(2R)-2-(prop-2-enoxymethyl)pyrrolidine
CID 57985002
2-(Prop-2-enoxymethyl)pyrrolidine
CID 62333040
(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 167030974
2-(Ethoxymethyl)-4-methylidenepyrrolidine
CID 176568560
4-Methylidene-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568673
Ethane;2-(ethoxymethyl)-4-methylidenepyrrolidine
CID 176568687
2-(3-Methylbut-2-enoxymethyl)pyrrolidine
CID 62332849
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
2-[[(E)-but-2-enoxy]methyl]pyrrolidine
CID 62332852
2-(2-Chloroprop-2-enoxymethyl)pyrrolidine
CID 62333039
2-(2-Bromoprop-2-enoxymethyl)pyrrolidine
CID 62335094

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine (CID 39063097) is (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine is C=C(C)COC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine?
The InChIKey is DMXFHQTXCWGQIS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)6-11-7-9-4-3-5-10-9/h9-10H,1,3-7H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine?
(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 39063097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).