morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone

C19H26BNO4 — CID 68914754

IUPACmorpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone
SMILESCC1(C)OB(C=Cc2ccc(C(=O)N3CCOCC3)cc2)OC1(C)C
InChIInChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)10-9-15-5-7-16(8-6-15)17(22)21-11-13-23-14-12-21/h5-10H,11-14H2,1-4H3
InChIKeyBFMXAXNJPTZHGX-UHFFFAOYSA-N
MW343.23 g/mol
LogP2.80
Rot. Bonds3

About morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone

morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone (PubChem CID 68914754) has the molecular formula C19H26BNO4 and a molecular weight of 343.23 g/mol. Its IUPAC name is morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone
PubChem CID68914754
Molecular FormulaC19H26BNO4
Molecular Weight343.23 g/mol
Exact Mass343.20
IUPAC Namemorpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone
SMILESCC1(C)OB(C=Cc2ccc(C(=O)N3CCOCC3)cc2)OC1(C)C
InChIInChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)10-9-15-5-7-16(8-6-15)17(22)21-11-13-23-14-12-21/h5-10H,11-14H2,1-4H3
InChIKeyBFMXAXNJPTZHGX-UHFFFAOYSA-N
XLogP2.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoic acid
CID 175079119
2-(3-ethynylphenyl)-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanone
CID 161375681
1-propan-2-yl-4-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]piperazine
CID 58486200
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261
4-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]aniline
CID 168897718
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone (CID 68914754) is morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone is CC1(C)OB(C=Cc2ccc(C(=O)N3CCOCC3)cc2)OC1(C)C.
What is the InChIKey of morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone?
The InChIKey is BFMXAXNJPTZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)10-9-15-5-7-16(8-6-15)17(22)21-11-13-23-14-12-21/h5-10H,11-14H2,1-4H3.
What are the key properties of morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone?
morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone has a molecular weight of 343.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone is sourced from PubChem (CID 68914754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).