4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine

C12H19NO — CID 2846117

IUPAC4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine
SMILESC1=CC2CC1CC2CN1CCOCC1
InChIInChI=1S/C12H19NO/c1-2-11-7-10(1)8-12(11)9-13-3-5-14-6-4-13/h1-2,10-12H,3-9H2
InChIKeyQTPSQJQJAOEZJA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.53
Rot. Bonds2

About 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine

4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine (PubChem CID 2846117) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine
PubChem CID2846117
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine
SMILESC1=CC2CC1CC2CN1CCOCC1
InChIInChI=1S/C12H19NO/c1-2-11-7-10(1)8-12(11)9-13-3-5-14-6-4-13/h1-2,10-12H,3-9H2
InChIKeyQTPSQJQJAOEZJA-UHFFFAOYSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
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 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine (CID 2846117) is 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine is C1=CC2CC1CC2CN1CCOCC1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine?
The InChIKey is QTPSQJQJAOEZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-11-7-10(1)8-12(11)9-13-3-5-14-6-4-13/h1-2,10-12H,3-9H2.
What are the key properties of 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine?
4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine has a molecular weight of 193.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)morpholine is sourced from PubChem (CID 2846117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).