2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone

C14H23NO2 — CID 116561305

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
SMILESCNC1COCC1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H23NO2/c1-15-13-8-17-7-12(13)14(16)6-11-5-9-2-3-10(11)4-9/h9-13,15H,2-8H2,1H3
InChIKeyQYHZXRFJPLIZST-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone (PubChem CID 116561305) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
PubChem CID116561305
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
SMILESCNC1COCC1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H23NO2/c1-15-13-8-17-7-12(13)14(16)6-11-5-9-2-3-10(11)4-9/h9-13,15H,2-8H2,1H3
InChIKeyQYHZXRFJPLIZST-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267050
1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116580084
2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561302
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
CID 114477902
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116575895
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 79558147
1-(2-bicyclo[2.2.1]heptanyl)-3-(propylamino)propan-2-one
CID 116562735
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone (CID 116561305) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone is CNC1COCC1C(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The InChIKey is QYHZXRFJPLIZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-15-13-8-17-7-12(13)14(16)6-11-5-9-2-3-10(11)4-9/h9-13,15H,2-8H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone has a molecular weight of 237.34 g/mol, XLogP of 1.62, 4 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-[4-(methylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116561305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).