(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one

C15H24N2O — CID 12914403

IUPAC(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
SMILESO=C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
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/t11-,12-,14-,15+/m0/s1
InChIKeyRYLSVBDVGRSVHE-NZBPQXDJSA-N
MW248.37 g/mol
LogP1.52
Rot. Bonds

About (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one

(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one (PubChem CID 12914403) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one.

Molecular Properties

Compound Name(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
PubChem CID12914403
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
SMILESO=C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
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/t11-,12-,14-,15+/m0/s1
InChIKeyRYLSVBDVGRSVHE-NZBPQXDJSA-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

Analyze (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one with MolForge

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Related Compounds

(+)-Lupanine
CID 91471
(7R,7aR,14S,14aS)-Dodecahydro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-6-one
CID 218066
Aphylline
CID 442940
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
Petrosin A
CID 3009291
Petrosin
CID 3009290
Oxosparteine
CID 97492
(-)-Deoxylupanoline
CID 198599
(1S,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
CID 12306750
(2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
CID 20975212
(+)-Aphylline
CID 11470670
Sparteine, 17-oxo-
CID 51018055

Frequently Asked Questions

What is the IUPAC name of (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one?
The IUPAC name of (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one (CID 12914403) is (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one.
What is the SMILES notation for (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one?
The canonical SMILES for (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one is O=C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.
What is the InChIKey of (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one?
The InChIKey is RYLSVBDVGRSVHE-NZBPQXDJSA-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/t11-,12-,14-,15+/m0/s1.
What are the key properties of (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one?
(1S,2R,9S,10S)-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 (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one is sourced from PubChem (CID 12914403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).