(17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate

C19H19NO3 — CID 23051151

IUPAC(17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate
SMILESCC(=O)OC12Cc3ccccc3CC(C)(c3ccccc31)N2O
InChIInChI=1S/C19H19NO3/c1-13(21)23-19-12-15-8-4-3-7-14(15)11-18(2,20(19)22)16-9-5-6-10-17(16)19/h3-10,22H,11-12H2,1-2H3
InChIKeyOCVXGYIGEOCTDI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.12
Rot. Bonds1

About (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate

(17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate (PubChem CID 23051151) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate.

Molecular Properties

Compound Name(17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate
PubChem CID23051151
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate
SMILESCC(=O)OC12Cc3ccccc3CC(C)(c3ccccc31)N2O
InChIInChI=1S/C19H19NO3/c1-13(21)23-19-12-15-8-4-3-7-14(15)11-18(2,20(19)22)16-9-5-6-10-17(16)19/h3-10,22H,11-12H2,1-2H3
InChIKeyOCVXGYIGEOCTDI-UHFFFAOYSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate?
The IUPAC name of (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate (CID 23051151) is (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate.
What is the SMILES notation for (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate?
The canonical SMILES for (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate is CC(=O)OC12Cc3ccccc3CC(C)(c3ccccc31)N2O.
What is the InChIKey of (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate?
The InChIKey is OCVXGYIGEOCTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(21)23-19-12-15-8-4-3-7-14(15)11-18(2,20(19)22)16-9-5-6-10-17(16)19/h3-10,22H,11-12H2,1-2H3.
What are the key properties of (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate?
(17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate has a molecular weight of 309.37 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (17-hydroxy-10-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-1-yl) acetate is sourced from PubChem (CID 23051151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).