[(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate

C16H14N2O3 — CID 15778524

IUPAC[(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H]2c3ccccc3C(=O)N2n2cccc21
InChIInChI=1S/C16H14N2O3/c1-10(19)21-15-9-14-11-5-2-3-6-12(11)16(20)18(14)17-8-4-7-13(15)17/h2-8,14-15H,9H2,1H3/t14-,15+/m0/s1
InChIKeyJHZNSNADCYDZQM-LSDHHAIUSA-N
MW282.30 g/mol
LogP2.33
Rot. Bonds1

About [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate

[(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate (PubChem CID 15778524) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate.

Molecular Properties

Compound Name[(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate
PubChem CID15778524
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H]2c3ccccc3C(=O)N2n2cccc21
InChIInChI=1S/C16H14N2O3/c1-10(19)21-15-9-14-11-5-2-3-6-12(11)16(20)18(14)17-8-4-7-13(15)17/h2-8,14-15H,9H2,1H3/t14-,15+/m0/s1
InChIKeyJHZNSNADCYDZQM-LSDHHAIUSA-N
XLogP2.33
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate?
The IUPAC name of [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate (CID 15778524) is [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate.
What is the SMILES notation for [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate?
The canonical SMILES for [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate is CC(=O)O[C@@H]1C[C@H]2c3ccccc3C(=O)N2n2cccc21.
What is the InChIKey of [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate?
The InChIKey is JHZNSNADCYDZQM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(19)21-15-9-14-11-5-2-3-6-12(11)16(20)18(14)17-8-4-7-13(15)17/h2-8,14-15H,9H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate?
[(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate has a molecular weight of 282.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate is sourced from PubChem (CID 15778524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).