2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C14H21NO3 — CID 102934347

IUPAC2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)C2CC3C=CC2C3)CC(CO)O1
InChIInChI=1S/C14H21NO3/c1-9-6-15(7-12(8-16)18-9)14(17)13-5-10-2-3-11(13)4-10/h2-3,9-13,16H,4-8H2,1H3
InChIKeyRLVVXFCHBXUEIC-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.81
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102934347) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102934347
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)C2CC3C=CC2C3)CC(CO)O1
InChIInChI=1S/C14H21NO3/c1-9-6-15(7-12(8-16)18-9)14(17)13-5-10-2-3-11(13)4-10/h2-3,9-13,16H,4-8H2,1H3
InChIKeyRLVVXFCHBXUEIC-UHFFFAOYSA-N
XLogP0.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297
2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934585
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-bicyclo[2.2.1]hept-5-enyl-[4,4-bis(hydroxymethyl)piperidin-1-yl]methanone
CID 158177900
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-methylpiperidin-2-yl)methanone
CID 102933001
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102934347) is 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)C2CC3C=CC2C3)CC(CO)O1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is RLVVXFCHBXUEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-6-15(7-12(8-16)18-9)14(17)13-5-10-2-3-11(13)4-10/h2-3,9-13,16H,4-8H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 251.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102934347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).