4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine

C14H23NO — CID 782894

IUPAC4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine
SMILESCC1(C)[C@H]2CC=C(CN3CCOCC3)[C@@H]1C2
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/t12-,13-/m0/s1
InChIKeyPXWCYHMXKVZYPD-STQMWFEESA-N
MW221.34 g/mol
LogP2.31
Rot. Bonds2

About 4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine

4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine (PubChem CID 782894) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine
PubChem CID782894
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine
SMILESCC1(C)[C@H]2CC=C(CN3CCOCC3)[C@@H]1C2
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/t12-,13-/m0/s1
InChIKeyPXWCYHMXKVZYPD-STQMWFEESA-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-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine?
The IUPAC name of 4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine (CID 782894) is 4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine.
What is the SMILES notation for 4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine?
The canonical SMILES for 4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine is CC1(C)[C@H]2CC=C(CN3CCOCC3)[C@@H]1C2.
What is the InChIKey of 4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine?
The InChIKey is PXWCYHMXKVZYPD-STQMWFEESA-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/t12-,13-/m0/s1.
What are the key properties of 4-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine?
4-[[(1R,5S)-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-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]morpholine is sourced from PubChem (CID 782894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).