4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one

C16H15NO2 — CID 54698836

IUPAC4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one
SMILESCC12CCCc3c(O)cc(=O)n(c31)-c1ccccc12
InChIInChI=1S/C16H15NO2/c1-16-8-4-5-10-13(18)9-14(19)17(15(10)16)12-7-3-2-6-11(12)16/h2-3,6-7,9,18H,4-5,8H2,1H3
InChIKeyYCVAYLRJSXVGTO-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.50
Rot. Bonds

About 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one

4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one (PubChem CID 54698836) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one.

Molecular Properties

Compound Name4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one
PubChem CID54698836
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one
SMILESCC12CCCc3c(O)cc(=O)n(c31)-c1ccccc12
InChIInChI=1S/C16H15NO2/c1-16-8-4-5-10-13(18)9-14(19)17(15(10)16)12-7-3-2-6-11(12)16/h2-3,6-7,9,18H,4-5,8H2,1H3
InChIKeyYCVAYLRJSXVGTO-UHFFFAOYSA-N
XLogP2.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one?
The IUPAC name of 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one (CID 54698836) is 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one.
What is the SMILES notation for 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one?
The canonical SMILES for 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one is CC12CCCc3c(O)cc(=O)n(c31)-c1ccccc12.
What is the InChIKey of 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one?
The InChIKey is YCVAYLRJSXVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-16-8-4-5-10-13(18)9-14(19)17(15(10)16)12-7-3-2-6-11(12)16/h2-3,6-7,9,18H,4-5,8H2,1H3.
What are the key properties of 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one?
4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one has a molecular weight of 253.30 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),10,12,14-pentaen-2-one is sourced from PubChem (CID 54698836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).