2-(cycloocten-1-yl)morpholine

C12H21NO — CID 70431666

IUPAC2-(cycloocten-1-yl)morpholine
SMILESC1=C(C2CNCCO2)CCCCCC1
InChIInChI=1S/C12H21NO/c1-2-4-6-11(7-5-3-1)12-10-13-8-9-14-12/h6,12-13H,1-5,7-10H2
InChIKeyUHBZYVMTKMPOPY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds1

About 2-(cycloocten-1-yl)morpholine

2-(cycloocten-1-yl)morpholine (PubChem CID 70431666) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(cycloocten-1-yl)morpholine.

Molecular Properties

Compound Name2-(cycloocten-1-yl)morpholine
PubChem CID70431666
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(cycloocten-1-yl)morpholine
SMILESC1=C(C2CNCCO2)CCCCCC1
InChIInChI=1S/C12H21NO/c1-2-4-6-11(7-5-3-1)12-10-13-8-9-14-12/h6,12-13H,1-5,7-10H2
InChIKeyUHBZYVMTKMPOPY-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloocten-1-yl)morpholine?
The IUPAC name of 2-(cycloocten-1-yl)morpholine (CID 70431666) is 2-(cycloocten-1-yl)morpholine.
What is the SMILES notation for 2-(cycloocten-1-yl)morpholine?
The canonical SMILES for 2-(cycloocten-1-yl)morpholine is C1=C(C2CNCCO2)CCCCCC1.
What is the InChIKey of 2-(cycloocten-1-yl)morpholine?
The InChIKey is UHBZYVMTKMPOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-4-6-11(7-5-3-1)12-10-13-8-9-14-12/h6,12-13H,1-5,7-10H2.
What are the key properties of 2-(cycloocten-1-yl)morpholine?
2-(cycloocten-1-yl)morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloocten-1-yl)morpholine is sourced from PubChem (CID 70431666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).