methyl 5-morpholin-4-ylpenta-2,4-diynoate

C10H11NO3 — CID 12708947

IUPACmethyl 5-morpholin-4-ylpenta-2,4-diynoate
SMILESCOC(=O)C#CC#CN1CCOCC1
InChIInChI=1S/C10H11NO3/c1-13-10(12)4-2-3-5-11-6-8-14-9-7-11/h6-9H2,1H3
InChIKeyZZDXIQRFXUIQNM-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.54
Rot. Bonds

About methyl 5-morpholin-4-ylpenta-2,4-diynoate

methyl 5-morpholin-4-ylpenta-2,4-diynoate (PubChem CID 12708947) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 5-morpholin-4-ylpenta-2,4-diynoate.

Molecular Properties

Compound Namemethyl 5-morpholin-4-ylpenta-2,4-diynoate
PubChem CID12708947
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 5-morpholin-4-ylpenta-2,4-diynoate
SMILESCOC(=O)C#CC#CN1CCOCC1
InChIInChI=1S/C10H11NO3/c1-13-10(12)4-2-3-5-11-6-8-14-9-7-11/h6-9H2,1H3
InChIKeyZZDXIQRFXUIQNM-UHFFFAOYSA-N
XLogP-0.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-morpholin-4-ylpenta-2,4-diynoate?
The IUPAC name of methyl 5-morpholin-4-ylpenta-2,4-diynoate (CID 12708947) is methyl 5-morpholin-4-ylpenta-2,4-diynoate.
What is the SMILES notation for methyl 5-morpholin-4-ylpenta-2,4-diynoate?
The canonical SMILES for methyl 5-morpholin-4-ylpenta-2,4-diynoate is COC(=O)C#CC#CN1CCOCC1.
What is the InChIKey of methyl 5-morpholin-4-ylpenta-2,4-diynoate?
The InChIKey is ZZDXIQRFXUIQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10(12)4-2-3-5-11-6-8-14-9-7-11/h6-9H2,1H3.
What are the key properties of methyl 5-morpholin-4-ylpenta-2,4-diynoate?
methyl 5-morpholin-4-ylpenta-2,4-diynoate has a molecular weight of 193.20 g/mol, XLogP of -0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-morpholin-4-ylpenta-2,4-diynoate is sourced from PubChem (CID 12708947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).