7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one

C15H24N2O — CID 12914402

IUPAC7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
SMILESO=C1CCN2CC3CC(CN4CCCCC34)C2C1
InChIInChI=1S/C15H24N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-12,14-15H,1-10H2
InChIKeyRYLSVBDVGRSVHE-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.52
Rot. Bonds

About 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one

7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one (PubChem CID 12914402) 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-4-one.

Molecular Properties

Compound Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
PubChem CID12914402
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
SMILESO=C1CCN2CC3CC(CN4CCCCC34)C2C1
InChIInChI=1S/C15H24N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-12,14-15H,1-10H2
InChIKeyRYLSVBDVGRSVHE-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

(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
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
CID 24805328
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988
(1R,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 134715220
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 76970776
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 72710652
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
CID 6918763
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6-thione
CID 11311607

Frequently Asked Questions

What is the IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one?
The IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one (CID 12914402) is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one.
What is the SMILES notation for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one?
The canonical SMILES for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one is O=C1CCN2CC3CC(CN4CCCCC34)C2C1.
What is the InChIKey of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one?
The InChIKey is RYLSVBDVGRSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-12,14-15H,1-10H2.
What are the key properties of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one?
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-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-4-one is sourced from PubChem (CID 12914402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).