3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride

C8H16ClNO — CID 53409467

IUPAC3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride
SMILESC=CCOCC1CCNC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-5-10-7-8-3-4-9-6-8;/h2,8-9H,1,3-7H2;1H
InChIKeyUWYZOTJPCMLCKR-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.22
Rot. Bonds4

About 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride

3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride (PubChem CID 53409467) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride
PubChem CID53409467
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride
SMILESC=CCOCC1CCNC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-5-10-7-8-3-4-9-6-8;/h2,8-9H,1,3-7H2;1H
InChIKeyUWYZOTJPCMLCKR-UHFFFAOYSA-N
XLogP1.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride (CID 53409467) is 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride is C=CCOCC1CCNC1.Cl.
What is the InChIKey of 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride?
The InChIKey is UWYZOTJPCMLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-2-5-10-7-8-3-4-9-6-8;/h2,8-9H,1,3-7H2;1H.
What are the key properties of 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride?
3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 53409467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).