1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one

C14H24O2 — CID 105116960

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
SMILESCOCC(C)CC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H24O2/c1-10(9-16-2)5-14(15)8-13-7-11-3-4-12(13)6-11/h10-13H,3-9H2,1-2H3
InChIKeyXRINTDFLIYLQQM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.05
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one

1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one (PubChem CID 105116960) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
PubChem CID105116960
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
SMILESCOCC(C)CC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H24O2/c1-10(9-16-2)5-14(15)8-13-7-11-3-4-12(13)6-11/h10-13H,3-9H2,1-2H3
InChIKeyXRINTDFLIYLQQM-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one
CID 116607458
4-amino-1-(2-bicyclo[2.2.1]heptanyl)heptan-2-one
CID 116607768
N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 106242862
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-bromo-3-methoxypropyl)acetamide
CID 114310041
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-one
CID 114964939
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799359
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one (CID 105116960) is 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one is COCC(C)CC(=O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one?
The InChIKey is XRINTDFLIYLQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(9-16-2)5-14(15)8-13-7-11-3-4-12(13)6-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one?
1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one is sourced from PubChem (CID 105116960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).