1-morpholin-4-yl-2-propoxyethanone

C9H17NO3 — CID 54275056

IUPAC1-morpholin-4-yl-2-propoxyethanone
SMILESCCCOCC(=O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-5-13-8-9(11)10-3-6-12-7-4-10/h2-8H2,1H3
InChIKeyDGNXHKVWAVFWSB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds4

About 1-morpholin-4-yl-2-propoxyethanone

1-morpholin-4-yl-2-propoxyethanone (PubChem CID 54275056) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-propoxyethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-propoxyethanone
PubChem CID54275056
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-morpholin-4-yl-2-propoxyethanone
SMILESCCCOCC(=O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-5-13-8-9(11)10-3-6-12-7-4-10/h2-8H2,1H3
InChIKeyDGNXHKVWAVFWSB-UHFFFAOYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-propoxyethanone?
The IUPAC name of 1-morpholin-4-yl-2-propoxyethanone (CID 54275056) is 1-morpholin-4-yl-2-propoxyethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-propoxyethanone?
The canonical SMILES for 1-morpholin-4-yl-2-propoxyethanone is CCCOCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-propoxyethanone?
The InChIKey is DGNXHKVWAVFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-5-13-8-9(11)10-3-6-12-7-4-10/h2-8H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-propoxyethanone?
1-morpholin-4-yl-2-propoxyethanone has a molecular weight of 187.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-propoxyethanone is sourced from PubChem (CID 54275056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).