(2S)-2-(1-butoxyethenyl)pyrrolidine

C10H19NO — CID 159311306

IUPAC(2S)-2-(1-butoxyethenyl)pyrrolidine
SMILESC=C(OCCCC)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO/c1-3-4-8-12-9(2)10-6-5-7-11-10/h10-11H,2-8H2,1H3/t10-/m0/s1
InChIKeyVMRQGHBCFVEBAR-JTQLQIEISA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds5

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

(2S)-2-(1-butoxyethenyl)pyrrolidine (PubChem CID 159311306) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-(1-butoxyethenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1-butoxyethenyl)pyrrolidine
PubChem CID159311306
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-(1-butoxyethenyl)pyrrolidine
SMILESC=C(OCCCC)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO/c1-3-4-8-12-9(2)10-6-5-7-11-10/h10-11H,2-8H2,1H3/t10-/m0/s1
InChIKeyVMRQGHBCFVEBAR-JTQLQIEISA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-butoxyethenyl)pyrrolidine?
The IUPAC name of (2S)-2-(1-butoxyethenyl)pyrrolidine (CID 159311306) is (2S)-2-(1-butoxyethenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(1-butoxyethenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(1-butoxyethenyl)pyrrolidine is C=C(OCCCC)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(1-butoxyethenyl)pyrrolidine?
The InChIKey is VMRQGHBCFVEBAR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-8-12-9(2)10-6-5-7-11-10/h10-11H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(1-butoxyethenyl)pyrrolidine?
(2S)-2-(1-butoxyethenyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-butoxyethenyl)pyrrolidine is sourced from PubChem (CID 159311306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).