1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one

C10H17NO3 — CID 91464197

IUPAC1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1CC(C)O
InChIInChI=1S/C10H17NO3/c1-3-10(13)11-4-5-14-7-9(11)6-8(2)12/h3,8-9,12H,1,4-7H2,2H3
InChIKeyPQMFCQKWLZMOIR-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.17
Rot. Bonds3

About 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one

1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 91464197) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one
PubChem CID91464197
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1CC(C)O
InChIInChI=1S/C10H17NO3/c1-3-10(13)11-4-5-14-7-9(11)6-8(2)12/h3,8-9,12H,1,4-7H2,2H3
InChIKeyPQMFCQKWLZMOIR-UHFFFAOYSA-N
XLogP0.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-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 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one (CID 91464197) is 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOCC1CC(C)O.
What is the InChIKey of 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is PQMFCQKWLZMOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-10(13)11-4-5-14-7-9(11)6-8(2)12/h3,8-9,12H,1,4-7H2,2H3.
What are the key properties of 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one?
1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 199.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropyl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 91464197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).