4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine

C14H23NO — CID 2845803

IUPAC4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine
SMILESCC1(C)C2CC=C(CN3CCOCC3)C1C2
InChIInChI=1S/C14H23NO/c1-14(2)12-4-3-11(13(14)9-12)10-15-5-7-16-8-6-15/h3,12-13H,4-10H2,1-2H3
InChIKeyPXWCYHMXKVZYPD-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.31
Rot. Bonds2

About 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine

4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine (PubChem CID 2845803) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine
PubChem CID2845803
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine
SMILESCC1(C)C2CC=C(CN3CCOCC3)C1C2
InChIInChI=1S/C14H23NO/c1-14(2)12-4-3-11(13(14)9-12)10-15-5-7-16-8-6-15/h3,12-13H,4-10H2,1-2H3
InChIKeyPXWCYHMXKVZYPD-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.31
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-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine?
The IUPAC name of 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine (CID 2845803) is 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine.
What is the SMILES notation for 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine?
The canonical SMILES for 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine is CC1(C)C2CC=C(CN3CCOCC3)C1C2.
What is the InChIKey of 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine?
The InChIKey is PXWCYHMXKVZYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2)12-4-3-11(13(14)9-12)10-15-5-7-16-8-6-15/h3,12-13H,4-10H2,1-2H3.
What are the key properties of 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine?
4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine has a molecular weight of 221.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]morpholine is sourced from PubChem (CID 2845803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).