1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one

C14H17NO2 — CID 14320533

IUPAC1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c1-2-14(16)15-8-9-17-11-13(15)10-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1
InChIKeyLNQGZJYOJUJERB-ZDUSSCGKSA-N
MW231.30 g/mol
LogP1.64
Rot. Bonds3

About 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one

1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one (PubChem CID 14320533) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
PubChem CID14320533
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c1-2-14(16)15-8-9-17-11-13(15)10-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1
InChIKeyLNQGZJYOJUJERB-ZDUSSCGKSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
CID 166406225
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one
CID 123193193
4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024428
N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide
CID 172887206
(3S)-3-benzyl-N-(4-nitrophenyl)morpholine-4-carboxamide
CID 99814447
3-benzyl-4-methylmorpholine;ethane
CID 168940239
2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone
CID 164638802
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one (CID 14320533) is 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOC[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one?
The InChIKey is LNQGZJYOJUJERB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-14(16)15-8-9-17-11-13(15)10-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one?
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one has a molecular weight of 231.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 14320533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).