8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione

C16H23NO3 — CID 75041764

IUPAC8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
SMILESCC1CC2CC34C(=O)CCCN3CCCC2(O)C(=O)C14
InChIInChI=1S/C16H23NO3/c1-10-8-11-9-15-12(18)4-2-6-17(15)7-3-5-16(11,20)14(19)13(10)15/h10-11,13,20H,2-9H2,1H3
InChIKeyWSCKIDSKYVDXBA-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.16
Rot. Bonds

About 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione

8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione (PubChem CID 75041764) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione.

Molecular Properties

Compound Name8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
PubChem CID75041764
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
SMILESCC1CC2CC34C(=O)CCCN3CCCC2(O)C(=O)C14
InChIInChI=1S/C16H23NO3/c1-10-8-11-9-15-12(18)4-2-6-17(15)7-3-5-16(11,20)14(19)13(10)15/h10-11,13,20H,2-9H2,1H3
InChIKeyWSCKIDSKYVDXBA-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

Analyze 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione with MolForge

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Related Compounds

(1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
CID 45101514
(1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one
CID 177413449
2-(1-adamantyl)-2-(2,2,2-trifluoroacetyl)cyclohexan-1-one
CID 12021697
5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione
CID 579727
1-(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)cyclopropan-1-ol
CID 166533385
17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one
CID 163056711
tert-butyl (5S,9S)-9-methyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 176830182
2-methyl-2-piperidin-1-ylcyclohexan-1-one
CID 12954052
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
cyclohexadecanone;6,6-dihydroxy-3,4-dimethylcyclohexadecan-1-one
CID 154998610
(1S,2R,4R,6R,9R)-2-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecan-8-one
CID 162902580
tert-butyl (1S)-4-methyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadec-8-ene-13-carboxylate
CID 135067265

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione?
The IUPAC name of 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione (CID 75041764) is 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione.
What is the SMILES notation for 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione?
The canonical SMILES for 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione is CC1CC2CC34C(=O)CCCN3CCCC2(O)C(=O)C14.
What is the InChIKey of 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione?
The InChIKey is WSCKIDSKYVDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-8-11-9-15-12(18)4-2-6-17(15)7-3-5-16(11,20)14(19)13(10)15/h10-11,13,20H,2-9H2,1H3.
What are the key properties of 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione?
8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-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 8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione is sourced from PubChem (CID 75041764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).