5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one

C16H23NO3 — CID 73316640

IUPAC5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one
SMILESCC1C=C2N3CCCC4C(=O)CC(C1O)C24C(O)CC3
InChIInChI=1S/C16H23NO3/c1-9-7-13-16-10(12(18)8-11(16)15(9)20)3-2-5-17(13)6-4-14(16)19/h7,9-11,14-15,19-20H,2-6,8H2,1H3
InChIKeyQVBJTJQIFZPKDD-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.93
Rot. Bonds

About 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one

5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one (PubChem CID 73316640) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one.

Molecular Properties

Compound Name5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one
PubChem CID73316640
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one
SMILESCC1C=C2N3CCCC4C(=O)CC(C1O)C24C(O)CC3
InChIInChI=1S/C16H23NO3/c1-9-7-13-16-10(12(18)8-11(16)15(9)20)3-2-5-17(13)6-4-14(16)19/h7,9-11,14-15,19-20H,2-6,8H2,1H3
InChIKeyQVBJTJQIFZPKDD-UHFFFAOYSA-N
XLogP0.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one?
The IUPAC name of 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one (CID 73316640) is 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one.
What is the SMILES notation for 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one?
The canonical SMILES for 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one is CC1C=C2N3CCCC4C(=O)CC(C1O)C24C(O)CC3.
What is the InChIKey of 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one?
The InChIKey is QVBJTJQIFZPKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-9-7-13-16-10(12(18)8-11(16)15(9)20)3-2-5-17(13)6-4-14(16)19/h7,9-11,14-15,19-20H,2-6,8H2,1H3.
What are the key properties of 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one?
5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one has a molecular weight of 277.36 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,16-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one is sourced from PubChem (CID 73316640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).