2-pent-4-enylmorpholine

C9H17NO — CID 66612518

IUPAC2-pent-4-enylmorpholine
SMILESC=CCCCC1CNCCO1
InChIInChI=1S/C9H17NO/c1-2-3-4-5-9-8-10-6-7-11-9/h2,9-10H,1,3-8H2
InChIKeyYNBNREKLCIIBEA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

About 2-pent-4-enylmorpholine

2-pent-4-enylmorpholine (PubChem CID 66612518) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-pent-4-enylmorpholine.

Molecular Properties

Compound Name2-pent-4-enylmorpholine
PubChem CID66612518
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-pent-4-enylmorpholine
SMILESC=CCCCC1CNCCO1
InChIInChI=1S/C9H17NO/c1-2-3-4-5-9-8-10-6-7-11-9/h2,9-10H,1,3-8H2
InChIKeyYNBNREKLCIIBEA-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-pent-4-enylmorpholine?
The IUPAC name of 2-pent-4-enylmorpholine (CID 66612518) is 2-pent-4-enylmorpholine.
What is the SMILES notation for 2-pent-4-enylmorpholine?
The canonical SMILES for 2-pent-4-enylmorpholine is C=CCCCC1CNCCO1.
What is the InChIKey of 2-pent-4-enylmorpholine?
The InChIKey is YNBNREKLCIIBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-5-9-8-10-6-7-11-9/h2,9-10H,1,3-8H2.
What are the key properties of 2-pent-4-enylmorpholine?
2-pent-4-enylmorpholine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enylmorpholine is sourced from PubChem (CID 66612518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).