(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate

C16H27NO3 — CID 4689531

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate
SMILESCC1(C)C2CCC1(C)C(OC(=O)CN1CCOCC1)C2
InChIInChI=1S/C16H27NO3/c1-15(2)12-4-5-16(15,3)13(10-12)20-14(18)11-17-6-8-19-9-7-17/h12-13H,4-11H2,1-3H3
InChIKeyLQXMRKDNXMYCPC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.08
Rot. Bonds3

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate (PubChem CID 4689531) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate
PubChem CID4689531
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate
SMILESCC1(C)C2CCC1(C)C(OC(=O)CN1CCOCC1)C2
InChIInChI=1S/C16H27NO3/c1-15(2)12-4-5-16(15,3)13(10-12)20-14(18)11-17-6-8-19-9-7-17/h12-13H,4-11H2,1-3H3
InChIKeyLQXMRKDNXMYCPC-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Cyclohexyloxy-2-oxoethyl)-dimethyl-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium chloride
CID 12005622
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-(azepan-1-yl)acetate
CID 916253
Hexyloxycarbonylmethyl-dimethyl-[2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxy)-ethyl]-ammonium
CID 11958717
2-(heptyloxy)-N,N-dimethyl-2-oxo-N-(2-(((1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)ethanaminium bromide
CID 12005609
Dimethyl-[2-(3-methylbutoxy)-2-oxoethyl]-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium chloride
CID 16188796
(2-Butan-2-yloxy-2-oxoethyl)-dimethyl-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]azanium chloride
CID 16189735
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-(4-methylpiperidin-1-yl)propanoate
CID 145990523
4-Methyl-4-((1S,2S,4S)-1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxycarbonylmethyl)-morpholin-4-ium
CID 18502834
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-(diethylamino)acetate
CID 929702
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-morpholin-4-ylacetate
CID 1551170
2-butoxy-N,N-dimethyl-2-oxo-N-(2-(((1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)ethanaminium bromide
CID 12005623
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-piperidin-1-ylacetate
CID 13755927

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate (CID 4689531) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate is CC1(C)C2CCC1(C)C(OC(=O)CN1CCOCC1)C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate?
The InChIKey is LQXMRKDNXMYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-15(2)12-4-5-16(15,3)13(10-12)20-14(18)11-17-6-8-19-9-7-17/h12-13H,4-11H2,1-3H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate has a molecular weight of 281.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-morpholin-4-ylacetate is sourced from PubChem (CID 4689531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).