(1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene

C14H17NO — CID 101487996

IUPAC(1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene
SMILESC[C@]12CCC[C@H](CC(c3ccccc3)=N1)O2
InChIInChI=1S/C14H17NO/c1-14-9-5-8-12(16-14)10-13(15-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m1/s1
InChIKeyBUEOGAQBKUSABG-OCCSQVGLSA-N
MW215.30 g/mol
LogP3.16
Rot. Bonds1

About (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene

(1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene (PubChem CID 101487996) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name(1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene
PubChem CID101487996
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene
SMILESC[C@]12CCC[C@H](CC(c3ccccc3)=N1)O2
InChIInChI=1S/C14H17NO/c1-14-9-5-8-12(16-14)10-13(15-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m1/s1
InChIKeyBUEOGAQBKUSABG-OCCSQVGLSA-N
XLogP3.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134916558
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9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909649
2-(4-phenyl-1,5-diazaspiro[5.5]undec-4-en-2-yl)phenol
CID 3146314
trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane
CID 12510725
(3'R,5S,10bR)-3'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CID 98327894
trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane
CID 14590234
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CID 134872680
(2S)-2-methyl-6-phenyl-2,3,4,5-tetrahydropyridine
CID 102451598
3-O-tert-butyl 2-O-methyl (2R,3R)-2-methyl-5-phenyl-3,4-dihydropyrrole-2,3-dicarboxylate
CID 101441182
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene (CID 101487996) is (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene is C[C@]12CCC[C@H](CC(c3ccccc3)=N1)O2.
What is the InChIKey of (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene?
The InChIKey is BUEOGAQBKUSABG-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H17NO/c1-14-9-5-8-12(16-14)10-13(15-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m1/s1.
What are the key properties of (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene?
(1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene has a molecular weight of 215.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-methyl-3-phenyl-9-oxa-2-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 101487996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).