2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone

C13H21NO2 — CID 116561600

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone
SMILESO=C(CC1CC2CCC1C2)C1CNCCO1
InChIInChI=1S/C13H21NO2/c15-12(13-8-14-3-4-16-13)7-11-6-9-1-2-10(11)5-9/h9-11,13-14H,1-8H2
InChIKeyCHGNOFUFFQTLBS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone (PubChem CID 116561600) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone
PubChem CID116561600
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone
SMILESO=C(CC1CC2CCC1C2)C1CNCCO1
InChIInChI=1S/C13H21NO2/c15-12(13-8-14-3-4-16-13)7-11-6-9-1-2-10(11)5-9/h9-11,13-14H,1-8H2
InChIKeyCHGNOFUFFQTLBS-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-morpholin-2-ylethanone
CID 116561623
1-morpholin-2-yl-2-piperazin-2-ylethanone
CID 173017543
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449433
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 80564596
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116575895
1-morpholin-2-yloctan-1-one
CID 70601940
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460
1-morpholin-2-ylhexadecan-1-one
CID 70404670
1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116580084
(2R)-morpholine-2-carboxamide
CID 51600069

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone (CID 116561600) is 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone is O=C(CC1CC2CCC1C2)C1CNCCO1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone?
The InChIKey is CHGNOFUFFQTLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12(13-8-14-3-4-16-13)7-11-6-9-1-2-10(11)5-9/h9-11,13-14H,1-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone has a molecular weight of 223.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone is sourced from PubChem (CID 116561600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).