7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one

C15H24N2O — CID 6430124

IUPAC7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one
SMILESO=C1C2CN3CCCCC3C1CN1CCCCC21
InChIInChI=1S/C15H24N2O/c18-15-11-9-17-8-4-2-6-14(17)12(15)10-16-7-3-1-5-13(11)16/h11-14H,1-10H2
InChIKeyGHGQXOFLRGUXQS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.52
Rot. Bonds

About 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one

7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one (PubChem CID 6430124) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one.

Molecular Properties

Compound Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one
PubChem CID6430124
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one
SMILESO=C1C2CN3CCCCC3C1CN1CCCCC21
InChIInChI=1S/C15H24N2O/c18-15-11-9-17-8-4-2-6-14(17)12(15)10-16-7-3-1-5-13(11)16/h11-14H,1-10H2
InChIKeyGHGQXOFLRGUXQS-UHFFFAOYSA-N
XLogP1.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one
CID 6554736
(1R,2S,5S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-one
CID 50935523
(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one
CID 18555210
(1R,2S,5R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one
CID 7114611
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
CID 12914402
bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
CID 24805328
(1S,2S,3R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 11183076
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749

Frequently Asked Questions

What is the IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one?
The IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one (CID 6430124) is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one.
What is the SMILES notation for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one?
The canonical SMILES for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one is O=C1C2CN3CCCCC3C1CN1CCCCC21.
What is the InChIKey of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one?
The InChIKey is GHGQXOFLRGUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15-11-9-17-8-4-2-6-14(17)12(15)10-16-7-3-1-5-13(11)16/h11-14H,1-10H2.
What are the key properties of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one?
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one has a molecular weight of 248.37 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-17-one is sourced from PubChem (CID 6430124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).