(1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene

C14H17NO — CID 135037908

IUPAC(1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene
SMILESCO[C@@H]1C[C@]2(C)N=C(c3ccccc3)C[C@H]12
InChIInChI=1S/C14H17NO/c1-14-9-13(16-2)11(14)8-12(15-14)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyIEVHCHRKNLSFEN-BNOWGMLFSA-N
MW215.30 g/mol
LogP2.67
Rot. Bonds2

About (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene

(1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene (PubChem CID 135037908) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene
PubChem CID135037908
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene
SMILESCO[C@@H]1C[C@]2(C)N=C(c3ccccc3)C[C@H]12
InChIInChI=1S/C14H17NO/c1-14-9-13(16-2)11(14)8-12(15-14)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyIEVHCHRKNLSFEN-BNOWGMLFSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene with MolForge

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Related Compounds

4-methoxy-5-phenyl-3,4-dihydro-2H-pyrrole
CID 12327451
tert-butyl-dimethyl-[[(1S,5S,6R)-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-en-6-yl]oxy]silane
CID 135010370
4,4,6-Trimethyl-2-(1-phenylhexyl)-5,6-dihydro-1,3-oxazine
CID 289255
4,4,6-Trimethyl-2-(1-phenylpent-4-en-2-yl)-5,6-dihydro-1,3-oxazine
CID 293646
2-(1-Benzylpropyl)-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
CID 293650
4,4,6-Trimethyl-2-(1-phenylhex-5-en-2-yl)-5,6-dihydro-1,3-oxazine
CID 293655
Oxazole, 2,5-dihydro-2,2-dimethyl-5-(1-methylethyl)-4-phenyl-
CID 569048
5-Methyl-3-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 13083663
7-methoxy-4-phenyl-3,4,5,6-tetrahydro-2H-azepine
CID 15453852
4,4-Dimethyl-2-(4-phenylhexan-2-yl)-5,6-dihydro-1,3-oxazine
CID 20813394
5-[(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 53931009
5-Methyl-4-(2-methylpropyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 89071559

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene?
The IUPAC name of (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene (CID 135037908) is (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene is CO[C@@H]1C[C@]2(C)N=C(c3ccccc3)C[C@H]12.
What is the InChIKey of (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene?
The InChIKey is IEVHCHRKNLSFEN-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H17NO/c1-14-9-13(16-2)11(14)8-12(15-14)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-,13-,14+/m1/s1.
What are the key properties of (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene?
(1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene has a molecular weight of 215.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-6-methoxy-1-methyl-3-phenyl-2-azabicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 135037908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).