(3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine

C8H15NO2 — CID 170563827

IUPAC(3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine
SMILESC=CCO[C@@H]1CNC[C@@H]1OC
InChIInChI=1S/C8H15NO2/c1-3-4-11-8-6-9-5-7(8)10-2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyFPEYJSOOPIIHBN-JGVFFNPUSA-N
MW157.21 g/mol
LogP0.18
Rot. Bonds4

About (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine

(3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine (PubChem CID 170563827) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine
PubChem CID170563827
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine
SMILESC=CCO[C@@H]1CNC[C@@H]1OC
InChIInChI=1S/C8H15NO2/c1-3-4-11-8-6-9-5-7(8)10-2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyFPEYJSOOPIIHBN-JGVFFNPUSA-N
XLogP0.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 45075459
(3S)-3-(prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 132398761
(3S)-3-(prop-2-en-1-yloxy)pyrrolidine
CID 26191822
3-Fluoro-4-(prop-2-en-1-yloxy)pyrrolidine
CID 168016825
2,2-Dimethyl-5-allyloxymethyl oxazolidine
CID 22160876
2-(Allyloxymethyl)morpholine
CID 22405612
(3R)-3-(prop-2-en-1-yloxy)pyrrolidine
CID 26191819
3-(Prop-2-en-1-yloxy)pyrrolidine
CID 45075460
N-ethyl-2-prop-2-enoxybutan-1-amine
CID 62442447
(3S,4S)-4-allyloxy-pyrrolidin-3-ol hydrochloride
CID 66817259
(3S,4S)-4-prop-2-enoxypyrrolidin-3-ol
CID 66817260
2-Ethenyl-5-ethyl-1,3-oxazolidine
CID 68829548

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine?
The IUPAC name of (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine (CID 170563827) is (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine.
What is the SMILES notation for (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine?
The canonical SMILES for (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine is C=CCO[C@@H]1CNC[C@@H]1OC.
What is the InChIKey of (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine?
The InChIKey is FPEYJSOOPIIHBN-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-11-8-6-9-5-7(8)10-2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine?
(3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine has a molecular weight of 157.21 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine is sourced from PubChem (CID 170563827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).