5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione

C16H23NO3 — CID 579727

IUPAC5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione
SMILESCC1CC(=O)C23CCCN4CCCC42C(=O)CC3C1O
InChIInChI=1S/C16H23NO3/c1-10-8-12(18)15-4-2-6-17-7-3-5-16(15,17)13(19)9-11(15)14(10)20/h10-11,14,20H,2-9H2,1H3
InChIKeyFCLWOBVEKQQHFC-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.16
Rot. Bonds

About 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione

5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione (PubChem CID 579727) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione.

Molecular Properties

Compound Name5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione
PubChem CID579727
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione
SMILESCC1CC(=O)C23CCCN4CCCC42C(=O)CC3C1O
InChIInChI=1S/C16H23NO3/c1-10-8-12(18)15-4-2-6-17-7-3-5-16(15,17)13(19)9-11(15)14(10)20/h10-11,14,20H,2-9H2,1H3
InChIKeyFCLWOBVEKQQHFC-UHFFFAOYSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione?
The IUPAC name of 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione (CID 579727) is 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione.
What is the SMILES notation for 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione?
The canonical SMILES for 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione is CC1CC(=O)C23CCCN4CCCC42C(=O)CC3C1O.
What is the InChIKey of 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione?
The InChIKey is FCLWOBVEKQQHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-8-12(18)15-4-2-6-17-7-3-5-16(15,17)13(19)9-11(15)14(10)20/h10-11,14,20H,2-9H2,1H3.
What are the key properties of 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione?
5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione has a molecular weight of 277.36 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione is sourced from PubChem (CID 579727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).