(2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one

C16H20N2O — CID 67167203

IUPAC(2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one
SMILESO=C1NC[C@@H]2CNC[C@H]2c2cc3c(cc21)CCCC3
InChIInChI=1S/C16H20N2O/c19-16-14-6-11-4-2-1-3-10(11)5-13(14)15-9-17-7-12(15)8-18-16/h5-6,12,15,17H,1-4,7-9H2,(H,18,19)/t12-,15+/m0/s1
InChIKeyBGRPUQMHBVSGMT-SWLSCSKDSA-N
MW256.35 g/mol
LogP1.61
Rot. Bonds

About (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one

(2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one (PubChem CID 67167203) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one.

Molecular Properties

Compound Name(2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one
PubChem CID67167203
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one
SMILESO=C1NC[C@@H]2CNC[C@H]2c2cc3c(cc21)CCCC3
InChIInChI=1S/C16H20N2O/c19-16-14-6-11-4-2-1-3-10(11)5-13(14)15-9-17-7-12(15)8-18-16/h5-6,12,15,17H,1-4,7-9H2,(H,18,19)/t12-,15+/m0/s1
InChIKeyBGRPUQMHBVSGMT-SWLSCSKDSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one?
The IUPAC name of (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one (CID 67167203) is (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one.
What is the SMILES notation for (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one?
The canonical SMILES for (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one is O=C1NC[C@@H]2CNC[C@H]2c2cc3c(cc21)CCCC3.
What is the InChIKey of (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one?
The InChIKey is BGRPUQMHBVSGMT-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-14-6-11-4-2-1-3-10(11)5-13(14)15-9-17-7-12(15)8-18-16/h5-6,12,15,17H,1-4,7-9H2,(H,18,19)/t12-,15+/m0/s1.
What are the key properties of (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one?
(2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one has a molecular weight of 256.35 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4,8-diazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),11,17-trien-9-one is sourced from PubChem (CID 67167203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).