7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C16H21NO3 — CID 114778305

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)C2Cc3ccccc32)CC(CO)O1
InChIInChI=1S/C16H21NO3/c1-16(2)10-17(8-12(9-18)20-16)15(19)14-7-11-5-3-4-6-13(11)14/h3-6,12,14,18H,7-10H2,1-2H3
InChIKeyLJFQXLVLZNSKRD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.32
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114778305) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114778305
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)C2Cc3ccccc32)CC(CO)O1
InChIInChI=1S/C16H21NO3/c1-16(2)10-17(8-12(9-18)20-16)15(19)14-7-11-5-3-4-6-13(11)14/h3-6,12,14,18H,7-10H2,1-2H3
InChIKeyLJFQXLVLZNSKRD-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone
CID 114778312
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
1,2,3,4-tetrahydroisoquinolin-4-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 65262062
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
CID 107036511
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794
(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66394637
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methylphenyl)sulfanylethanone
CID 114778930
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone
CID 114778645
(2-ethoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778977
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114778305) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)C2Cc3ccccc32)CC(CO)O1.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is LJFQXLVLZNSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2)10-17(8-12(9-18)20-16)15(19)14-7-11-5-3-4-6-13(11)14/h3-6,12,14,18H,7-10H2,1-2H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114778305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).