(1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene

C16H18N2O — CID 10729630

IUPAC(1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene
SMILESC[C@H](c1ccccc1)N1O[C@H]2C[C@@H]1c1cccn1C2
InChIInChI=1S/C16H18N2O/c1-12(13-6-3-2-4-7-13)18-16-10-14(19-18)11-17-9-5-8-15(16)17/h2-9,12,14,16H,10-11H2,1H3/t12-,14+,16-/m1/s1
InChIKeyRNSRHEKVDXBFTP-IVMMDQJWSA-N
MW254.33 g/mol
LogP3.31
Rot. Bonds2

About (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene

(1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene (PubChem CID 10729630) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene.

Molecular Properties

Compound Name(1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene
PubChem CID10729630
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene
SMILESC[C@H](c1ccccc1)N1O[C@H]2C[C@@H]1c1cccn1C2
InChIInChI=1S/C16H18N2O/c1-12(13-6-3-2-4-7-13)18-16-10-14(19-18)11-17-9-5-8-15(16)17/h2-9,12,14,16H,10-11H2,1H3/t12-,14+,16-/m1/s1
InChIKeyRNSRHEKVDXBFTP-IVMMDQJWSA-N
XLogP3.31
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781
14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
CID 16682011
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2-phenyl-1,4-di(propan-2-yl)pyrrolidine
CID 58778539
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
(1S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-one
CID 10703897
(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 71269820
2-(1-phenylethyl)-1,2-oxazolidin-4-ol
CID 130523178
(1S,4S)-2-methyl-5-[(1R)-1-phenylethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 24787409
trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane
CID 14089790

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene?
The IUPAC name of (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene (CID 10729630) is (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene.
What is the SMILES notation for (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene?
The canonical SMILES for (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene is C[C@H](c1ccccc1)N1O[C@H]2C[C@@H]1c1cccn1C2.
What is the InChIKey of (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene?
The InChIKey is RNSRHEKVDXBFTP-IVMMDQJWSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(13-6-3-2-4-7-13)18-16-10-14(19-18)11-17-9-5-8-15(16)17/h2-9,12,14,16H,10-11H2,1H3/t12-,14+,16-/m1/s1.
What are the key properties of (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene?
(1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene has a molecular weight of 254.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-10-[(1R)-1-phenylethyl]-9-oxa-6,10-diazatricyclo[6.2.1.02,6]undeca-2,4-diene is sourced from PubChem (CID 10729630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).