12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one

C15H14N2O — CID 71500082

IUPAC12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one
SMILESCc1ccc2c(c1)c1c3n2C(=O)CN=C3CCC1
InChIInChI=1S/C15H14N2O/c1-9-5-6-13-11(7-9)10-3-2-4-12-15(10)17(13)14(18)8-16-12/h5-7H,2-4,8H2,1H3
InChIKeyYXZNKWWWMLJEIX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.73
Rot. Bonds

About 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one

12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one (PubChem CID 71500082) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one.

Molecular Properties

Compound Name12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one
PubChem CID71500082
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one
SMILESCc1ccc2c(c1)c1c3n2C(=O)CN=C3CCC1
InChIInChI=1S/C15H14N2O/c1-9-5-6-13-11(7-9)10-3-2-4-12-15(10)17(13)14(18)8-16-12/h5-7H,2-4,8H2,1H3
InChIKeyYXZNKWWWMLJEIX-UHFFFAOYSA-N
XLogP2.73
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one?
The IUPAC name of 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one (CID 71500082) is 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one.
What is the SMILES notation for 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one?
The canonical SMILES for 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one is Cc1ccc2c(c1)c1c3n2C(=O)CN=C3CCC1.
What is the InChIKey of 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one?
The InChIKey is YXZNKWWWMLJEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-5-6-13-11(7-9)10-3-2-4-12-15(10)17(13)14(18)8-16-12/h5-7H,2-4,8H2,1H3.
What are the key properties of 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one?
12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaen-2-one is sourced from PubChem (CID 71500082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).