(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one

C15H24N2O — CID 11470670

IUPAC(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
SMILESO=C1[C@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN12
InChIInChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12+,13-,14+/m1/s1
InChIKeyYQMWQSMYVPLYDI-RQJABVFESA-N
MW248.37 g/mol
LogP1.87
Rot. Bonds

About (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one

(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one (PubChem CID 11470670) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one.

Molecular Properties

Compound Name(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
PubChem CID11470670
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
SMILESO=C1[C@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN12
InChIInChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12+,13-,14+/m1/s1
InChIKeyYQMWQSMYVPLYDI-RQJABVFESA-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 (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one?
The IUPAC name of (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one (CID 11470670) is (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one.
What is the SMILES notation for (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one?
The canonical SMILES for (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one is O=C1[C@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN12.
What is the InChIKey of (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one?
The InChIKey is YQMWQSMYVPLYDI-RQJABVFESA-N. The full InChI is InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12+,13-,14+/m1/s1.
What are the key properties of (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one?
(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-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 (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one is sourced from PubChem (CID 11470670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).