2-(cyclohepten-1-yl)morpholine

C11H19NO — CID 70431555

IUPAC2-(cyclohepten-1-yl)morpholine
SMILESC1=C(C2CNCCO2)CCCCC1
InChIInChI=1S/C11H19NO/c1-2-4-6-10(5-3-1)11-9-12-7-8-13-11/h5,11-12H,1-4,6-9H2
InChIKeyXOQVOKZNBVLUGE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds1

About 2-(cyclohepten-1-yl)morpholine

2-(cyclohepten-1-yl)morpholine (PubChem CID 70431555) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)morpholine.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)morpholine
PubChem CID70431555
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(cyclohepten-1-yl)morpholine
SMILESC1=C(C2CNCCO2)CCCCC1
InChIInChI=1S/C11H19NO/c1-2-4-6-10(5-3-1)11-9-12-7-8-13-11/h5,11-12H,1-4,6-9H2
InChIKeyXOQVOKZNBVLUGE-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
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-(cyclohepten-1-yl)morpholine?
The IUPAC name of 2-(cyclohepten-1-yl)morpholine (CID 70431555) is 2-(cyclohepten-1-yl)morpholine.
What is the SMILES notation for 2-(cyclohepten-1-yl)morpholine?
The canonical SMILES for 2-(cyclohepten-1-yl)morpholine is C1=C(C2CNCCO2)CCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)morpholine?
The InChIKey is XOQVOKZNBVLUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-4-6-10(5-3-1)11-9-12-7-8-13-11/h5,11-12H,1-4,6-9H2.
What are the key properties of 2-(cyclohepten-1-yl)morpholine?
2-(cyclohepten-1-yl)morpholine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)morpholine is sourced from PubChem (CID 70431555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).