(3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one

C17H18N2O — CID 162805266

IUPAC(3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one
SMILESCc1c(C)c2c3ccccc3n3c2n(c1=O)C[C@H](C)C3
InChIInChI=1S/C17H18N2O/c1-10-8-18-14-7-5-4-6-13(14)15-11(2)12(3)17(20)19(9-10)16(15)18/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyOVGUAMNGMJKZCH-SNVBAGLBSA-N
MW266.34 g/mol
LogP3.22
Rot. Bonds

About (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one

(3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one (PubChem CID 162805266) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one.

Molecular Properties

Compound Name(3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one
PubChem CID162805266
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one
SMILESCc1c(C)c2c3ccccc3n3c2n(c1=O)C[C@H](C)C3
InChIInChI=1S/C17H18N2O/c1-10-8-18-14-7-5-4-6-13(14)15-11(2)12(3)17(20)19(9-10)16(15)18/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyOVGUAMNGMJKZCH-SNVBAGLBSA-N
XLogP3.22
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one?
The IUPAC name of (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one (CID 162805266) is (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one.
What is the SMILES notation for (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one?
The canonical SMILES for (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one is Cc1c(C)c2c3ccccc3n3c2n(c1=O)C[C@H](C)C3.
What is the InChIKey of (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one?
The InChIKey is OVGUAMNGMJKZCH-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N2O/c1-10-8-18-14-7-5-4-6-13(14)15-11(2)12(3)17(20)19(9-10)16(15)18/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one?
(3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one has a molecular weight of 266.34 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one is sourced from PubChem (CID 162805266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).