(3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one

C16H25NO — CID 24823214

IUPAC(3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one
SMILESC[C@@H]1CCCCCCCCc2cc(=O)cc([nH]2)C1
InChIInChI=1S/C16H25NO/c1-13-8-6-4-2-3-5-7-9-14-11-16(18)12-15(10-13)17-14/h11-13H,2-10H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyAUHXKORXECZJLA-CYBMUJFWSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds

About (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one

(3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one (PubChem CID 24823214) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one.

Molecular Properties

Compound Name(3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one
PubChem CID24823214
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one
SMILESC[C@@H]1CCCCCCCCc2cc(=O)cc([nH]2)C1
InChIInChI=1S/C16H25NO/c1-13-8-6-4-2-3-5-7-9-14-11-16(18)12-15(10-13)17-14/h11-13H,2-10H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyAUHXKORXECZJLA-CYBMUJFWSA-N
XLogP3.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one?
The IUPAC name of (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one (CID 24823214) is (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one.
What is the SMILES notation for (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one?
The canonical SMILES for (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one is C[C@@H]1CCCCCCCCc2cc(=O)cc([nH]2)C1.
What is the InChIKey of (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one?
The InChIKey is AUHXKORXECZJLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-6-4-2-3-5-7-9-14-11-16(18)12-15(10-13)17-14/h11-13H,2-10H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one?
(3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one has a molecular weight of 247.38 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one is sourced from PubChem (CID 24823214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).