11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C18H20N2O2 — CID 44828034

IUPAC11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1cccc2n1CC1CC2CN(Cc2cccc(O)c2)C1
InChIInChI=1S/C18H20N2O2/c21-16-4-1-3-13(8-16)9-19-10-14-7-15(12-19)17-5-2-6-18(22)20(17)11-14/h1-6,8,14-15,21H,7,9-12H2
InChIKeyFPDBJVJJFLFFGA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.17
Rot. Bonds2

About 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 44828034) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID44828034
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1cccc2n1CC1CC2CN(Cc2cccc(O)c2)C1
InChIInChI=1S/C18H20N2O2/c21-16-4-1-3-13(8-16)9-19-10-14-7-15(12-19)17-5-2-6-18(22)20(17)11-14/h1-6,8,14-15,21H,7,9-12H2
InChIKeyFPDBJVJJFLFFGA-UHFFFAOYSA-N
XLogP2.17
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 44828034) is 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=c1cccc2n1CC1CC2CN(Cc2cccc(O)c2)C1.
What is the InChIKey of 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is FPDBJVJJFLFFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-16-4-1-3-13(8-16)9-19-10-14-7-15(12-19)17-5-2-6-18(22)20(17)11-14/h1-6,8,14-15,21H,7,9-12H2.
What are the key properties of 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 296.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 44828034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).