acetylene;ethane;4-propylmorpholin-3-one

C15H33NO2 — CID 142466574

IUPACacetylene;ethane;4-propylmorpholin-3-one
SMILESC#C.CC.CC.CC.CCCN1CCOCC1=O
InChIInChI=1S/C7H13NO2.3C2H6.C2H2/c1-2-3-8-4-5-10-6-7(8)9;4*1-2/h2-6H2,1H3;3*1-2H3;1-2H
InChIKeyRMRKDPOVQCXEIX-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.58
Rot. Bonds2

About acetylene;ethane;4-propylmorpholin-3-one

acetylene;ethane;4-propylmorpholin-3-one (PubChem CID 142466574) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is acetylene;ethane;4-propylmorpholin-3-one.

Molecular Properties

Compound Nameacetylene;ethane;4-propylmorpholin-3-one
PubChem CID142466574
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameacetylene;ethane;4-propylmorpholin-3-one
SMILESC#C.CC.CC.CC.CCCN1CCOCC1=O
InChIInChI=1S/C7H13NO2.3C2H6.C2H2/c1-2-3-8-4-5-10-6-7(8)9;4*1-2/h2-6H2,1H3;3*1-2H3;1-2H
InChIKeyRMRKDPOVQCXEIX-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;ethane;4-propylmorpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;4-propylmorpholin-3-one?
The IUPAC name of acetylene;ethane;4-propylmorpholin-3-one (CID 142466574) is acetylene;ethane;4-propylmorpholin-3-one.
What is the SMILES notation for acetylene;ethane;4-propylmorpholin-3-one?
The canonical SMILES for acetylene;ethane;4-propylmorpholin-3-one is C#C.CC.CC.CC.CCCN1CCOCC1=O.
What is the InChIKey of acetylene;ethane;4-propylmorpholin-3-one?
The InChIKey is RMRKDPOVQCXEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.3C2H6.C2H2/c1-2-3-8-4-5-10-6-7(8)9;4*1-2/h2-6H2,1H3;3*1-2H3;1-2H.
What are the key properties of acetylene;ethane;4-propylmorpholin-3-one?
acetylene;ethane;4-propylmorpholin-3-one has a molecular weight of 259.43 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;4-propylmorpholin-3-one is sourced from PubChem (CID 142466574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).