1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one

C19H20N2O2 — CID 172888077

IUPAC1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCO[C@H](c2ccc(-c3cccnc3C)cc2)C1
InChIInChI=1S/C19H20N2O2/c1-3-19(22)21-11-12-23-18(13-21)16-8-6-15(7-9-16)17-5-4-10-20-14(17)2/h3-10,18H,1,11-13H2,2H3/t18-/m0/s1
InChIKeyGKYJVDYQWLTYCF-SFHVURJKSA-N
MW308.38 g/mol
LogP3.14
Rot. Bonds3

About 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one

1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 172888077) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one
PubChem CID172888077
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCO[C@H](c2ccc(-c3cccnc3C)cc2)C1
InChIInChI=1S/C19H20N2O2/c1-3-19(22)21-11-12-23-18(13-21)16-8-6-15(7-9-16)17-5-4-10-20-14(17)2/h3-10,18H,1,11-13H2,2H3/t18-/m0/s1
InChIKeyGKYJVDYQWLTYCF-SFHVURJKSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenyl-1,4-oxazepan-4-yl)prop-2-en-1-one
CID 126814843
1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
CID 126841376
2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
CID 91591906
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
1-(2-phenylmorpholin-4-yl)but-2-en-1-one
CID 112727078
1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 166409198
(E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one
CID 75362373
N-cyclopentyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 121134941
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42951736
2-(4-aminophenyl)morpholine-4-carboxylic acid
CID 66705901

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one (CID 172888077) is 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCO[C@H](c2ccc(-c3cccnc3C)cc2)C1.
What is the InChIKey of 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is GKYJVDYQWLTYCF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-19(22)21-11-12-23-18(13-21)16-8-6-15(7-9-16)17-5-4-10-20-14(17)2/h3-10,18H,1,11-13H2,2H3/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one?
1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 308.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 172888077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).