(1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

C15H24N2O — CID 1492637

IUPAC(1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESO=C1CCC[C@H]2[C@H]3C[C@@H](CN12)[C@H]1CCCCN1C3
InChIInChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13+,14-/m0/s1
InChIKeyJYIJIIVLEOETIQ-FQUUOJAGSA-N
MW248.37 g/mol
LogP1.87
Rot. Bonds

About (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

(1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (PubChem CID 1492637) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.

Molecular Properties

Compound Name(1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
PubChem CID1492637
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESO=C1CCC[C@H]2[C@H]3C[C@@H](CN12)[C@H]1CCCCN1C3
InChIInChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13+,14-/m0/s1
InChIKeyJYIJIIVLEOETIQ-FQUUOJAGSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The IUPAC name of (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (CID 1492637) is (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
What is the SMILES notation for (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The canonical SMILES for (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is O=C1CCC[C@H]2[C@H]3C[C@@H](CN12)[C@H]1CCCCN1C3.
What is the InChIKey of (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The InChIKey is JYIJIIVLEOETIQ-FQUUOJAGSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13+,14-/m0/s1.
What are the key properties of (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
(1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one has a molecular weight of 248.37 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is sourced from PubChem (CID 1492637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).