6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol

C14H23NO3 — CID 134158819

IUPAC6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol
SMILESC=CC1CC2CC1C(O)C2OCN1CCOCC1
InChIInChI=1S/C14H23NO3/c1-2-10-7-11-8-12(10)13(16)14(11)18-9-15-3-5-17-6-4-15/h2,10-14,16H,1,3-9H2
InChIKeyMRHHFDTWFZJQOY-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.86
Rot. Bonds4

About 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol

6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol (PubChem CID 134158819) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol
PubChem CID134158819
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol
SMILESC=CC1CC2CC1C(O)C2OCN1CCOCC1
InChIInChI=1S/C14H23NO3/c1-2-10-7-11-8-12(10)13(16)14(11)18-9-15-3-5-17-6-4-15/h2,10-14,16H,1,3-9H2
InChIKeyMRHHFDTWFZJQOY-UHFFFAOYSA-N
XLogP0.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol (CID 134158819) is 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol is C=CC1CC2CC1C(O)C2OCN1CCOCC1.
What is the InChIKey of 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is MRHHFDTWFZJQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-10-7-11-8-12(10)13(16)14(11)18-9-15-3-5-17-6-4-15/h2,10-14,16H,1,3-9H2.
What are the key properties of 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol?
6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-(morpholin-4-ylmethoxy)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134158819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).