(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene

C15H17NO — CID 125492867

IUPAC(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCN1O[C@H]2[C@@H]([C@H]1c1ccccc1)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C15H17NO/c1-16-14(10-5-3-2-4-6-10)13-11-7-8-12(9-11)15(13)17-16/h2-8,11-15H,9H2,1H3/t11-,12-,13+,14+,15+/m0/s1
InChIKeyAXKXSDFHUGEHHQ-VQJWOFKYSA-N
MW227.31 g/mol
LogP2.80
Rot. Bonds1

About (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene

(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 125492867) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID125492867
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCN1O[C@H]2[C@@H]([C@H]1c1ccccc1)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C15H17NO/c1-16-14(10-5-3-2-4-6-10)13-11-7-8-12(9-11)15(13)17-16/h2-8,11-15H,9H2,1H3/t11-,12-,13+,14+,15+/m0/s1
InChIKeyAXKXSDFHUGEHHQ-VQJWOFKYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,5R,6S,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 165340846
(4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
CID 11810532
(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine
CID 14379890
2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
CID 72810386
(3R,4R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidine-4-carbonitrile
CID 101455931
[(3R,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]methanol
CID 131042168
(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine
CID 10686939
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
CID 102384469
1,4-bis[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]piperazine-1,4-diium
CID 162416394
(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
CID 124813963
5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine
CID 13127067
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 125492867) is (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene is CN1O[C@H]2[C@@H]([C@H]1c1ccccc1)[C@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is AXKXSDFHUGEHHQ-VQJWOFKYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16-14(10-5-3-2-4-6-10)13-11-7-8-12(9-11)15(13)17-16/h2-8,11-15H,9H2,1H3/t11-,12-,13+,14+,15+/m0/s1.
What are the key properties of (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene?
(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 227.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 125492867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).