(3R)-3-pent-4-enoxypyrrolidine

C9H17NO — CID 70253325

IUPAC(3R)-3-pent-4-enoxypyrrolidine
SMILESC=CCCCO[C@@H]1CCNC1
InChIInChI=1S/C9H17NO/c1-2-3-4-7-11-9-5-6-10-8-9/h2,9-10H,1,3-8H2/t9-/m1/s1
InChIKeyLKWLEVNBJKQVAC-SECBINFHSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds5

About (3R)-3-pent-4-enoxypyrrolidine

(3R)-3-pent-4-enoxypyrrolidine (PubChem CID 70253325) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3R)-3-pent-4-enoxypyrrolidine.

Molecular Properties

Compound Name(3R)-3-pent-4-enoxypyrrolidine
PubChem CID70253325
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3R)-3-pent-4-enoxypyrrolidine
SMILESC=CCCCO[C@@H]1CCNC1
InChIInChI=1S/C9H17NO/c1-2-3-4-7-11-9-5-6-10-8-9/h2,9-10H,1,3-8H2/t9-/m1/s1
InChIKeyLKWLEVNBJKQVAC-SECBINFHSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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 (3R)-3-pent-4-enoxypyrrolidine?
The IUPAC name of (3R)-3-pent-4-enoxypyrrolidine (CID 70253325) is (3R)-3-pent-4-enoxypyrrolidine.
What is the SMILES notation for (3R)-3-pent-4-enoxypyrrolidine?
The canonical SMILES for (3R)-3-pent-4-enoxypyrrolidine is C=CCCCO[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-pent-4-enoxypyrrolidine?
The InChIKey is LKWLEVNBJKQVAC-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-7-11-9-5-6-10-8-9/h2,9-10H,1,3-8H2/t9-/m1/s1.
What are the key properties of (3R)-3-pent-4-enoxypyrrolidine?
(3R)-3-pent-4-enoxypyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pent-4-enoxypyrrolidine is sourced from PubChem (CID 70253325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).