(7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one

C11H13N3O — CID 46894964

IUPAC(7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
SMILESO=C1Nc2ncccc2CN2CCC[C@@H]12
InChIInChI=1S/C11H13N3O/c15-11-9-4-2-6-14(9)7-8-3-1-5-12-10(8)13-11/h1,3,5,9H,2,4,6-7H2,(H,12,13,15)/t9-/m0/s1
InChIKeyGQIJJFUCWMRUPX-VIFPVBQESA-N
MW203.25 g/mol
LogP1.00
Rot. Bonds

About (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one

(7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one (PubChem CID 46894964) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one.

Molecular Properties

Compound Name(7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
PubChem CID46894964
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
SMILESO=C1Nc2ncccc2CN2CCC[C@@H]12
InChIInChI=1S/C11H13N3O/c15-11-9-4-2-6-14(9)7-8-3-1-5-12-10(8)13-11/h1,3,5,9H,2,4,6-7H2,(H,12,13,15)/t9-/m0/s1
InChIKeyGQIJJFUCWMRUPX-VIFPVBQESA-N
XLogP1.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one with MolForge

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Related Compounds

(7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 177261757
7-iodo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 19067074
2,7,12-triazatricyclo[6.4.0.02,5]dodeca-1(8),9,11-trien-6-one
CID 141273952
3-(3-oxopiperidin-1-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313630
3-(3,4-dihydro-1H-isoquinolin-2-yl)azepan-2-one
CID 131702103
3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen
CID 143776107
(E)-N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-[(7S)-8-oxo-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]prop-2-enamide
CID 66966425
7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 23157087
(3S)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 164632274
(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-[(7S)-8-oxo-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]prop-2-enamide
CID 66966421
N-methyl-N-[(1-methylindol-2-yl)methyl]-3-[(7S)-8-oxo-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]prop-2-enamide
CID 66966428
(3R)-1-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]piperidine-3-carboxylic acid
CID 129427540

Frequently Asked Questions

What is the IUPAC name of (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The IUPAC name of (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one (CID 46894964) is (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one.
What is the SMILES notation for (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The canonical SMILES for (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one is O=C1Nc2ncccc2CN2CCC[C@@H]12.
What is the InChIKey of (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The InChIKey is GQIJJFUCWMRUPX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O/c15-11-9-4-2-6-14(9)7-8-3-1-5-12-10(8)13-11/h1,3,5,9H,2,4,6-7H2,(H,12,13,15)/t9-/m0/s1.
What are the key properties of (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
(7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one has a molecular weight of 203.25 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one is sourced from PubChem (CID 46894964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).