(2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione

C15H17N3O2 — CID 10858587

IUPAC(2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione
SMILESCn1c(=O)n2n(c1=O)[C@@]1(c3ccccc3)C(C)(C)[C@]21C
InChIInChI=1S/C15H17N3O2/c1-13(2)14(3)15(13,10-8-6-5-7-9-10)18-12(20)16(4)11(19)17(14)18/h5-9H,1-4H3/t14-,15-/m0/s1
InChIKeyGPCFJHTYYKVEBN-GJZGRUSLSA-N
MW271.32 g/mol
LogP0.86
Rot. Bonds1

About (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione

(2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione (PubChem CID 10858587) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione.

Molecular Properties

Compound Name(2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione
PubChem CID10858587
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione
SMILESCn1c(=O)n2n(c1=O)[C@@]1(c3ccccc3)C(C)(C)[C@]21C
InChIInChI=1S/C15H17N3O2/c1-13(2)14(3)15(13,10-8-6-5-7-9-10)18-12(20)16(4)11(19)17(14)18/h5-9H,1-4H3/t14-,15-/m0/s1
InChIKeyGPCFJHTYYKVEBN-GJZGRUSLSA-N
XLogP0.86
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6S,7R)-3-methyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione
CID 390090
3-Methyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione
CID 496365
(2R,4S)-3-benzyl-2,3,4,7-tetramethyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione
CID 9994099
(2R,4S)-2,4-dibenzyl-3,3,7-trimethyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione
CID 10248044
(2S,4R)-3,3-dibenzyl-2,4,7-trimethyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione
CID 10361224
(2R,4S)-3,3,7-trimethyl-2,4-diphenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione
CID 15204383
CID 177463521
CID 177463521

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione?
The IUPAC name of (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione (CID 10858587) is (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione.
What is the SMILES notation for (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione?
The canonical SMILES for (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione is Cn1c(=O)n2n(c1=O)[C@@]1(c3ccccc3)C(C)(C)[C@]21C.
What is the InChIKey of (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione?
The InChIKey is GPCFJHTYYKVEBN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-13(2)14(3)15(13,10-8-6-5-7-9-10)18-12(20)16(4)11(19)17(14)18/h5-9H,1-4H3/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione?
(2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione has a molecular weight of 271.32 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,3,3,7-tetramethyl-4-phenyl-1,5,7-triazatricyclo[3.3.0.02,4]octane-6,8-dione is sourced from PubChem (CID 10858587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).