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

C7H13NO — CID 157183835

IUPAC(2S)-2-(1-methoxyethenyl)pyrrolidine
SMILESC=C(OC)[C@@H]1CCCN1
InChIInChI=1S/C7H13NO/c1-6(9-2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1
InChIKeyAOWLFEQFJPONQH-ZETCQYMHSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds2

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

(2S)-2-(1-methoxyethenyl)pyrrolidine (PubChem CID 157183835) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2S)-2-(1-methoxyethenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1-methoxyethenyl)pyrrolidine
PubChem CID157183835
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2S)-2-(1-methoxyethenyl)pyrrolidine
SMILESC=C(OC)[C@@H]1CCCN1
InChIInChI=1S/C7H13NO/c1-6(9-2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1
InChIKeyAOWLFEQFJPONQH-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methoxyethenyl)pyrrolidine?
The IUPAC name of (2S)-2-(1-methoxyethenyl)pyrrolidine (CID 157183835) is (2S)-2-(1-methoxyethenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(1-methoxyethenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(1-methoxyethenyl)pyrrolidine is C=C(OC)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(1-methoxyethenyl)pyrrolidine?
The InChIKey is AOWLFEQFJPONQH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9-2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1.
What are the key properties of (2S)-2-(1-methoxyethenyl)pyrrolidine?
(2S)-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 (2S)-2-(1-methoxyethenyl)pyrrolidine is sourced from PubChem (CID 157183835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).