2-(1-methoxyethenyl)pyrrolidine

C7H13NO — CID 91128615

IUPAC2-(1-methoxyethenyl)pyrrolidine
SMILESC=C(OC)C1CCCN1
InChIInChI=1S/C7H13NO/c1-6(9-2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3
InChIKeyAOWLFEQFJPONQH-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds2

About 2-(1-methoxyethenyl)pyrrolidine

2-(1-methoxyethenyl)pyrrolidine (PubChem CID 91128615) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(1-methoxyethenyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-methoxyethenyl)pyrrolidine
PubChem CID91128615
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(1-methoxyethenyl)pyrrolidine
SMILESC=C(OC)C1CCCN1
InChIInChI=1S/C7H13NO/c1-6(9-2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3
InChIKeyAOWLFEQFJPONQH-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
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

1-Pyrrolidin-2-ylethenol
CID 59903287
(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine
CID 70311844
(Z)-2-(1-pyrrolidin-2-ylethenoxy)ethenamine
CID 70315607
1-[(2S)-pyrrolidin-2-yl]ethenol
CID 89536163
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209
2-(1-Cyclopentyloxyethenyl)pyrrolidin-1-ium
CID 143896460
(2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride
CID 157183834
(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
(2R)-2-(1-methoxyethenyl)-5-prop-2-enylpyrrolidine
CID 174321683
2-(Methoxymethyl)-4-methylidenepyrrolidine
CID 176568186

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethenyl)pyrrolidine?
The IUPAC name of 2-(1-methoxyethenyl)pyrrolidine (CID 91128615) is 2-(1-methoxyethenyl)pyrrolidine.
What is the SMILES notation for 2-(1-methoxyethenyl)pyrrolidine?
The canonical SMILES for 2-(1-methoxyethenyl)pyrrolidine is C=C(OC)C1CCCN1.
What is the InChIKey of 2-(1-methoxyethenyl)pyrrolidine?
The InChIKey is AOWLFEQFJPONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9-2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3.
What are the key properties of 2-(1-methoxyethenyl)pyrrolidine?
2-(1-methoxyethenyl)pyrrolidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethenyl)pyrrolidine is sourced from PubChem (CID 91128615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).