(1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one

C15H22N2O — CID 101219424

IUPAC(1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one
SMILESO=C1[C@@H]2C[C@@H](CN3CCCC[C@H]23)[C@H]2CCC=CN12
InChIInChI=1S/C15H22N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h4,8,11-14H,1-3,5-7,9-10H2/t11-,12+,13+,14+/m0/s1
InChIKeyOUUSQTVRZSKTBG-REWJHTLYSA-N
MW246.35 g/mol
LogP2.00
Rot. Bonds

About (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one

(1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one (PubChem CID 101219424) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one.

Molecular Properties

Compound Name(1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one
PubChem CID101219424
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one
SMILESO=C1[C@@H]2C[C@@H](CN3CCCC[C@H]23)[C@H]2CCC=CN12
InChIInChI=1S/C15H22N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h4,8,11-14H,1-3,5-7,9-10H2/t11-,12+,13+,14+/m0/s1
InChIKeyOUUSQTVRZSKTBG-REWJHTLYSA-N
XLogP2.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one?
The IUPAC name of (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one (CID 101219424) is (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one.
What is the SMILES notation for (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one?
The canonical SMILES for (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one is O=C1[C@@H]2C[C@@H](CN3CCCC[C@H]23)[C@H]2CCC=CN12.
What is the InChIKey of (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one?
The InChIKey is OUUSQTVRZSKTBG-REWJHTLYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h4,8,11-14H,1-3,5-7,9-10H2/t11-,12+,13+,14+/m0/s1.
What are the key properties of (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one?
(1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one has a molecular weight of 246.35 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one is sourced from PubChem (CID 101219424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).