1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine

C12H23NO — CID 129289046

IUPAC1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine
SMILESCC/C=C(\C)OCCCN1CCCC1
InChIInChI=1S/C12H23NO/c1-3-7-12(2)14-11-6-10-13-8-4-5-9-13/h7H,3-6,8-11H2,1-2H3/b12-7+
InChIKeyRYZVHCULGVYYIF-KPKJPENVSA-N
MW197.32 g/mol
LogP2.80
Rot. Bonds6

About 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine

1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine (PubChem CID 129289046) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine
PubChem CID129289046
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine
SMILESCC/C=C(\C)OCCCN1CCCC1
InChIInChI=1S/C12H23NO/c1-3-7-12(2)14-11-6-10-13-8-4-5-9-13/h7H,3-6,8-11H2,1-2H3/b12-7+
InChIKeyRYZVHCULGVYYIF-KPKJPENVSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
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 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine?
The IUPAC name of 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine (CID 129289046) is 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine.
What is the SMILES notation for 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine?
The canonical SMILES for 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine is CC/C=C(\C)OCCCN1CCCC1.
What is the InChIKey of 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine?
The InChIKey is RYZVHCULGVYYIF-KPKJPENVSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-12(2)14-11-6-10-13-8-4-5-9-13/h7H,3-6,8-11H2,1-2H3/b12-7+.
What are the key properties of 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine?
1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-pent-2-en-2-yl]oxypropyl]pyrrolidine is sourced from PubChem (CID 129289046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).