(2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride

C7H14ClNO — CID 157183834

IUPAC(2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride
SMILESC=C(OC)[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-6(9-2)7-4-3-5-8-7;/h7-8H,1,3-5H2,2H3;1H/t7-;/m0./s1
InChIKeyAVZACGNOLSWOAA-FJXQXJEOSA-N
MW163.65 g/mol
LogP1.32
Rot. Bonds2

About (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride

(2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride (PubChem CID 157183834) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride
PubChem CID157183834
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride
SMILESC=C(OC)[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-6(9-2)7-4-3-5-8-7;/h7-8H,1,3-5H2,2H3;1H/t7-;/m0./s1
InChIKeyAVZACGNOLSWOAA-FJXQXJEOSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine
CID 70311844
(Z)-2-(1-pyrrolidin-2-ylethenoxy)ethenamine
CID 70315607
2-(1-Methoxyethenyl)pyrrolidine
CID 91128615
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209
2-(1-Cyclopentyloxyethenyl)pyrrolidin-1-ium
CID 143896460
(2S)-2-(1-methoxyethenyl)pyrrolidine
CID 157183835
(2S)-2-(1-butoxyethenyl)pyrrolidine;2-methylpropane
CID 159311305
(2S)-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 167030974
2-(Methoxymethyl)-4-methylidenepyrrolidine
CID 176568186
4-Methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 176568431
2-(Ethoxymethyl)-4-methylidenepyrrolidine
CID 176568560
4-Methylidene-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride (CID 157183834) is (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride is C=C(OC)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride?
The InChIKey is AVZACGNOLSWOAA-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-6(9-2)7-4-3-5-8-7;/h7-8H,1,3-5H2,2H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride?
(2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 157183834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).