(3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine

C9H17NO — CID 86320872

IUPAC(3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine
SMILESC=C(C)COC[C@H]1CCNC1
InChIInChI=1S/C9H17NO/c1-8(2)6-11-7-9-3-4-10-5-9/h9-10H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyPQMHCSZULDXADT-VIFPVBQESA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds4

About (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine

(3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine (PubChem CID 86320872) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine
PubChem CID86320872
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine
SMILESC=C(C)COC[C@H]1CCNC1
InChIInChI=1S/C9H17NO/c1-8(2)6-11-7-9-3-4-10-5-9/h9-10H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyPQMHCSZULDXADT-VIFPVBQESA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine?
The IUPAC name of (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine (CID 86320872) is (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine is C=C(C)COC[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine?
The InChIKey is PQMHCSZULDXADT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)6-11-7-9-3-4-10-5-9/h9-10H,1,3-7H2,2H3/t9-/m0/s1.
What are the key properties of (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine?
(3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylprop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 86320872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).