6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one

C19H22N2O2 — CID 43865791

IUPAC6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
SMILESCCCCC(=O)N1CCc2c3n(c4ccccc24)C(=O)CCC31
InChIInChI=1S/C19H22N2O2/c1-2-3-8-17(22)20-12-11-14-13-6-4-5-7-15(13)21-18(23)10-9-16(20)19(14)21/h4-7,16H,2-3,8-12H2,1H3
InChIKeyFPMCXPLXDFZIFU-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds3

About 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one

6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one (PubChem CID 43865791) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one.

Molecular Properties

Compound Name6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
PubChem CID43865791
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
SMILESCCCCC(=O)N1CCc2c3n(c4ccccc24)C(=O)CCC31
InChIInChI=1S/C19H22N2O2/c1-2-3-8-17(22)20-12-11-14-13-6-4-5-7-15(13)21-18(23)10-9-16(20)19(14)21/h4-7,16H,2-3,8-12H2,1H3
InChIKeyFPMCXPLXDFZIFU-UHFFFAOYSA-N
XLogP3.69
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The IUPAC name of 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one (CID 43865791) is 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one.
What is the SMILES notation for 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The canonical SMILES for 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one is CCCCC(=O)N1CCc2c3n(c4ccccc24)C(=O)CCC31.
What is the InChIKey of 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
The InChIKey is FPMCXPLXDFZIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-3-8-17(22)20-12-11-14-13-6-4-5-7-15(13)21-18(23)10-9-16(20)19(14)21/h4-7,16H,2-3,8-12H2,1H3.
What are the key properties of 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one?
6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentanoyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one is sourced from PubChem (CID 43865791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).