4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one

C13H17NO3 — CID 46832448

IUPAC4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one
SMILESC#CCCCC1C=C(N2CCOCC2)C(=O)O1
InChIInChI=1S/C13H17NO3/c1-2-3-4-5-11-10-12(13(15)17-11)14-6-8-16-9-7-14/h1,10-11H,3-9H2
InChIKeyLCDZWCHCNSGBHP-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.93
Rot. Bonds4

About 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one

4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one (PubChem CID 46832448) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one.

Molecular Properties

Compound Name4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one
PubChem CID46832448
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one
SMILESC#CCCCC1C=C(N2CCOCC2)C(=O)O1
InChIInChI=1S/C13H17NO3/c1-2-3-4-5-11-10-12(13(15)17-11)14-6-8-16-9-7-14/h1,10-11H,3-9H2
InChIKeyLCDZWCHCNSGBHP-UHFFFAOYSA-N
XLogP0.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one?
The IUPAC name of 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one (CID 46832448) is 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one.
What is the SMILES notation for 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one?
The canonical SMILES for 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one is C#CCCCC1C=C(N2CCOCC2)C(=O)O1.
What is the InChIKey of 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one?
The InChIKey is LCDZWCHCNSGBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-3-4-5-11-10-12(13(15)17-11)14-6-8-16-9-7-14/h1,10-11H,3-9H2.
What are the key properties of 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one?
4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one has a molecular weight of 235.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one is sourced from PubChem (CID 46832448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).