(1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile

C19H25N3O — CID 11483757

IUPAC(1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile
SMILESN#C[C@@H]1CCC[C@@]23CCCC[C@]2(N)OC[C@@H](c2ccccc2)N13
InChIInChI=1S/C19H25N3O/c20-13-16-9-6-11-18-10-4-5-12-19(18,21)23-14-17(22(16)18)15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-12,14,21H2/t16-,17-,18-,19-/m0/s1
InChIKeyZKYRNIPOSCESRT-VJANTYMQSA-N
MW311.43 g/mol
LogP3.10
Rot. Bonds1

About (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile

(1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile (PubChem CID 11483757) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile.

Molecular Properties

Compound Name(1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile
PubChem CID11483757
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile
SMILESN#C[C@@H]1CCC[C@@]23CCCC[C@]2(N)OC[C@@H](c2ccccc2)N13
InChIInChI=1S/C19H25N3O/c20-13-16-9-6-11-18-10-4-5-12-19(18,21)23-14-17(22(16)18)15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-12,14,21H2/t16-,17-,18-,19-/m0/s1
InChIKeyZKYRNIPOSCESRT-VJANTYMQSA-N
XLogP3.10
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile?
The IUPAC name of (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile (CID 11483757) is (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile.
What is the SMILES notation for (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile?
The canonical SMILES for (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile is N#C[C@@H]1CCC[C@@]23CCCC[C@]2(N)OC[C@@H](c2ccccc2)N13.
What is the InChIKey of (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile?
The InChIKey is ZKYRNIPOSCESRT-VJANTYMQSA-N. The full InChI is InChI=1S/C19H25N3O/c20-13-16-9-6-11-18-10-4-5-12-19(18,21)23-14-17(22(16)18)15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-12,14,21H2/t16-,17-,18-,19-/m0/s1.
What are the key properties of (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile?
(1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile has a molecular weight of 311.43 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile is sourced from PubChem (CID 11483757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).