1-[(E)-4-methoxybut-2-enyl]pyrrolidine

C9H17NO — CID 176557900

IUPAC1-[(E)-4-methoxybut-2-enyl]pyrrolidine
SMILESCOC/C=C/CN1CCCC1
InChIInChI=1S/C9H17NO/c1-11-9-5-4-8-10-6-2-3-7-10/h4-5H,2-3,6-9H2,1H3/b5-4+
InChIKeySRPFIZBCBSNPEX-SNAWJCMRSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds4

About 1-[(E)-4-methoxybut-2-enyl]pyrrolidine

1-[(E)-4-methoxybut-2-enyl]pyrrolidine (PubChem CID 176557900) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(E)-4-methoxybut-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-4-methoxybut-2-enyl]pyrrolidine
PubChem CID176557900
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(E)-4-methoxybut-2-enyl]pyrrolidine
SMILESCOC/C=C/CN1CCCC1
InChIInChI=1S/C9H17NO/c1-11-9-5-4-8-10-6-2-3-7-10/h4-5H,2-3,6-9H2,1H3/b5-4+
InChIKeySRPFIZBCBSNPEX-SNAWJCMRSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-methoxybut-2-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-4-methoxybut-2-enyl]pyrrolidine (CID 176557900) is 1-[(E)-4-methoxybut-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-4-methoxybut-2-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-4-methoxybut-2-enyl]pyrrolidine is COC/C=C/CN1CCCC1.
What is the InChIKey of 1-[(E)-4-methoxybut-2-enyl]pyrrolidine?
The InChIKey is SRPFIZBCBSNPEX-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-9-5-4-8-10-6-2-3-7-10/h4-5H,2-3,6-9H2,1H3/b5-4+.
What are the key properties of 1-[(E)-4-methoxybut-2-enyl]pyrrolidine?
1-[(E)-4-methoxybut-2-enyl]pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methoxybut-2-enyl]pyrrolidine is sourced from PubChem (CID 176557900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).