(1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene

C19H24N2O — CID 10661647

IUPAC(1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
SMILESCO/C=C\[C@]12N=N[C@](c3ccccc3)([C@@H]3CCC[C@@H]31)C2(C)C
InChIInChI=1S/C19H24N2O/c1-17(2)18(12-13-22-3)15-10-7-11-16(15)19(17,21-20-18)14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,7,10-11H2,1-3H3/b13-12-/t15-,16+,18-,19+/m0/s1
InChIKeyNRNGMHOLCDPOJN-LORLKILASA-N
MW296.41 g/mol
LogP4.70
Rot. Bonds3

About (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene

(1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 10661647) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID10661647
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
SMILESCO/C=C\[C@]12N=N[C@](c3ccccc3)([C@@H]3CCC[C@@H]31)C2(C)C
InChIInChI=1S/C19H24N2O/c1-17(2)18(12-13-22-3)15-10-7-11-16(15)19(17,21-20-18)14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,7,10-11H2,1-3H3/b13-12-/t15-,16+,18-,19+/m0/s1
InChIKeyNRNGMHOLCDPOJN-LORLKILASA-N
XLogP4.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 10688862
(1S,2R,6S,7R)-1-[(Z)-2-iodoethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 177392545
(1S,2S,6R,7S)-1-ethenyl-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10587844
(1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10663642
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CID 11780936
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CID 10262772
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CID 94037145
(3aR,9aS)-3,3-diphenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[c]pyrazole
CID 7203616
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate
CID 22084933
(1R,5R,6R)-4,4,6-trimethyl-1,5-diphenyl-2,3-diazabicyclo[3.1.0]hex-2-ene
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CID 10751254

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene (CID 10661647) is (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene is CO/C=C\[C@]12N=N[C@](c3ccccc3)([C@@H]3CCC[C@@H]31)C2(C)C.
What is the InChIKey of (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is NRNGMHOLCDPOJN-LORLKILASA-N. The full InChI is InChI=1S/C19H24N2O/c1-17(2)18(12-13-22-3)15-10-7-11-16(15)19(17,21-20-18)14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,7,10-11H2,1-3H3/b13-12-/t15-,16+,18-,19+/m0/s1.
What are the key properties of (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene?
(1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 296.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 10661647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).