(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one

C15H20N2O — CID 163050009

IUPAC(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one
SMILESO=c1ccn2c(c1)[C@H]1C[C@H](C2)[C@@H]2CCCCN2C1
InChIInChI=1S/C15H20N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,8,11-12,14H,1-3,5,7,9-10H2/t11-,12+,14+/m1/s1
InChIKeySJRGHHOFXSLZOB-DYEKYZERSA-N
MW244.34 g/mol
LogP1.82
Rot. Bonds

About (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one

(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one (PubChem CID 163050009) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one.

Molecular Properties

Compound Name(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one
PubChem CID163050009
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one
SMILESO=c1ccn2c(c1)[C@H]1C[C@H](C2)[C@@H]2CCCCN2C1
InChIInChI=1S/C15H20N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,8,11-12,14H,1-3,5,7,9-10H2/t11-,12+,14+/m1/s1
InChIKeySJRGHHOFXSLZOB-DYEKYZERSA-N
XLogP1.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one?
The IUPAC name of (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one (CID 163050009) is (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one.
What is the SMILES notation for (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one?
The canonical SMILES for (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one is O=c1ccn2c(c1)[C@H]1C[C@H](C2)[C@@H]2CCCCN2C1.
What is the InChIKey of (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one?
The InChIKey is SJRGHHOFXSLZOB-DYEKYZERSA-N. The full InChI is InChI=1S/C15H20N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,8,11-12,14H,1-3,5,7,9-10H2/t11-,12+,14+/m1/s1.
What are the key properties of (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one?
(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one has a molecular weight of 244.34 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one is sourced from PubChem (CID 163050009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).