1-(2-morpholin-4-ylcyclooctyl)propan-1-one

C15H27NO2 — CID 134546466

IUPAC1-(2-morpholin-4-ylcyclooctyl)propan-1-one
SMILESCCC(=O)C1CCCCCCC1N1CCOCC1
InChIInChI=1S/C15H27NO2/c1-2-15(17)13-7-5-3-4-6-8-14(13)16-9-11-18-12-10-16/h13-14H,2-12H2,1H3
InChIKeyLHXZBQVQVNBWFB-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-morpholin-4-ylcyclooctyl)propan-1-one

1-(2-morpholin-4-ylcyclooctyl)propan-1-one (PubChem CID 134546466) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylcyclooctyl)propan-1-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylcyclooctyl)propan-1-one
PubChem CID134546466
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(2-morpholin-4-ylcyclooctyl)propan-1-one
SMILESCCC(=O)C1CCCCCCC1N1CCOCC1
InChIInChI=1S/C15H27NO2/c1-2-15(17)13-7-5-3-4-6-8-14(13)16-9-11-18-12-10-16/h13-14H,2-12H2,1H3
InChIKeyLHXZBQVQVNBWFB-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylcyclooctyl)propan-1-one?
The IUPAC name of 1-(2-morpholin-4-ylcyclooctyl)propan-1-one (CID 134546466) is 1-(2-morpholin-4-ylcyclooctyl)propan-1-one.
What is the SMILES notation for 1-(2-morpholin-4-ylcyclooctyl)propan-1-one?
The canonical SMILES for 1-(2-morpholin-4-ylcyclooctyl)propan-1-one is CCC(=O)C1CCCCCCC1N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylcyclooctyl)propan-1-one?
The InChIKey is LHXZBQVQVNBWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-15(17)13-7-5-3-4-6-8-14(13)16-9-11-18-12-10-16/h13-14H,2-12H2,1H3.
What are the key properties of 1-(2-morpholin-4-ylcyclooctyl)propan-1-one?
1-(2-morpholin-4-ylcyclooctyl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylcyclooctyl)propan-1-one is sourced from PubChem (CID 134546466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).