(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione

C16H19NO3 — CID 11380289

IUPAC(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
SMILESCC(=O)/C(C(=O)N1CCOCC1)=C(\C)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-12(14-6-4-3-5-7-14)15(13(2)18)16(19)17-8-10-20-11-9-17/h3-7H,8-11H2,1-2H3/b15-12-
InChIKeyDDVVAUJHICPBIH-QINSGFPZSA-N
MW273.33 g/mol
LogP1.91
Rot. Bonds3

About (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione

(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione (PubChem CID 11380289) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione.

Molecular Properties

Compound Name(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
PubChem CID11380289
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
SMILESCC(=O)/C(C(=O)N1CCOCC1)=C(\C)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-12(14-6-4-3-5-7-14)15(13(2)18)16(19)17-8-10-20-11-9-17/h3-7H,8-11H2,1-2H3/b15-12-
InChIKeyDDVVAUJHICPBIH-QINSGFPZSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
CID 139194609
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
4-[4-(1,1-diphenylprop-1-en-2-yl)phenyl]morpholine
CID 15946487
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one
CID 71739167
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]-2-morpholin-4-yl-2-oxoacetamide
CID 118873019
N-methyl-N-morpholin-4-ylbenzamide
CID 154120289
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine
CID 12972641
4-[(E)-2-nitro-1,2-diphenylethenyl]morpholine
CID 14814554
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione?
The IUPAC name of (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione (CID 11380289) is (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione.
What is the SMILES notation for (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione?
The canonical SMILES for (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione is CC(=O)/C(C(=O)N1CCOCC1)=C(\C)c1ccccc1.
What is the InChIKey of (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione?
The InChIKey is DDVVAUJHICPBIH-QINSGFPZSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(14-6-4-3-5-7-14)15(13(2)18)16(19)17-8-10-20-11-9-17/h3-7H,8-11H2,1-2H3/b15-12-.
What are the key properties of (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione?
(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione has a molecular weight of 273.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione is sourced from PubChem (CID 11380289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).