4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one

C17H21NO2 — CID 53307790

IUPAC4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one
SMILESCN1CCC23CC(=O)CCC2(Cc2ccc(O)cc23)C1
InChIInChI=1S/C17H21NO2/c1-18-7-6-17-10-14(20)4-5-16(17,11-18)9-12-2-3-13(19)8-15(12)17/h2-3,8,19H,4-7,9-11H2,1H3
InChIKeyWUCQEQZEZVRUJS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.26
Rot. Bonds

About 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one

4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one (PubChem CID 53307790) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one.

Molecular Properties

Compound Name4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one
PubChem CID53307790
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one
SMILESCN1CCC23CC(=O)CCC2(Cc2ccc(O)cc23)C1
InChIInChI=1S/C17H21NO2/c1-18-7-6-17-10-14(20)4-5-16(17,11-18)9-12-2-3-13(19)8-15(12)17/h2-3,8,19H,4-7,9-11H2,1H3
InChIKeyWUCQEQZEZVRUJS-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one?
The IUPAC name of 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one (CID 53307790) is 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one.
What is the SMILES notation for 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one?
The canonical SMILES for 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one is CN1CCC23CC(=O)CCC2(Cc2ccc(O)cc23)C1.
What is the InChIKey of 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one?
The InChIKey is WUCQEQZEZVRUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18-7-6-17-10-14(20)4-5-16(17,11-18)9-12-2-3-13(19)8-15(12)17/h2-3,8,19H,4-7,9-11H2,1H3.
What are the key properties of 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one?
4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one has a molecular weight of 271.36 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5-trien-15-one is sourced from PubChem (CID 53307790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).