4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

C15H24N2O2 — CID 3073381

IUPAC4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESO=C1CC(O)CC2C3CCCN4CCCC(CN12)C34
InChIInChI=1S/C15H24N2O2/c18-11-7-13-12-4-2-6-16-5-1-3-10(15(12)16)9-17(13)14(19)8-11/h10-13,15,18H,1-9H2
InChIKeyYYLKMMPLIIOMLQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.84
Rot. Bonds

About 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (PubChem CID 3073381) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.

Molecular Properties

Compound Name4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
PubChem CID3073381
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESO=C1CC(O)CC2C3CCCN4CCCC(CN12)C34
InChIInChI=1S/C15H24N2O2/c18-11-7-13-12-4-2-6-16-5-1-3-10(15(12)16)9-17(13)14(19)8-11/h10-13,15,18H,1-9H2
InChIKeyYYLKMMPLIIOMLQ-UHFFFAOYSA-N
XLogP0.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The IUPAC name of 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (CID 3073381) is 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.
What is the SMILES notation for 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The canonical SMILES for 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is O=C1CC(O)CC2C3CCCN4CCCC(CN12)C34.
What is the InChIKey of 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The InChIKey is YYLKMMPLIIOMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-11-7-13-12-4-2-6-16-5-1-3-10(15(12)16)9-17(13)14(19)8-11/h10-13,15,18H,1-9H2.
What are the key properties of 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one has a molecular weight of 264.37 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is sourced from PubChem (CID 3073381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).