2-morpholin-4-ylcycloheptan-1-one

C11H19NO2 — CID 14023047

IUPAC2-morpholin-4-ylcycloheptan-1-one
SMILESO=C1CCCCCC1N1CCOCC1
InChIInChI=1S/C11H19NO2/c13-11-5-3-1-2-4-10(11)12-6-8-14-9-7-12/h10H,1-9H2
InChIKeyUFKBCCKSERBHMU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds1

About 2-morpholin-4-ylcycloheptan-1-one

2-morpholin-4-ylcycloheptan-1-one (PubChem CID 14023047) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-morpholin-4-ylcycloheptan-1-one.

Molecular Properties

Compound Name2-morpholin-4-ylcycloheptan-1-one
PubChem CID14023047
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-morpholin-4-ylcycloheptan-1-one
SMILESO=C1CCCCCC1N1CCOCC1
InChIInChI=1S/C11H19NO2/c13-11-5-3-1-2-4-10(11)12-6-8-14-9-7-12/h10H,1-9H2
InChIKeyUFKBCCKSERBHMU-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylcycloheptan-1-one?
The IUPAC name of 2-morpholin-4-ylcycloheptan-1-one (CID 14023047) is 2-morpholin-4-ylcycloheptan-1-one.
What is the SMILES notation for 2-morpholin-4-ylcycloheptan-1-one?
The canonical SMILES for 2-morpholin-4-ylcycloheptan-1-one is O=C1CCCCCC1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylcycloheptan-1-one?
The InChIKey is UFKBCCKSERBHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11-5-3-1-2-4-10(11)12-6-8-14-9-7-12/h10H,1-9H2.
What are the key properties of 2-morpholin-4-ylcycloheptan-1-one?
2-morpholin-4-ylcycloheptan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylcycloheptan-1-one is sourced from PubChem (CID 14023047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).