12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

C15H24N2O3 — CID 73201048

IUPAC12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESO=C1CCCC2C3CN4CCC(O)CC4C(CN12)C3O
InChIInChI=1S/C15H24N2O3/c18-9-4-5-16-7-10-12-2-1-3-14(19)17(12)8-11(15(10)20)13(16)6-9/h9-13,15,18,20H,1-8H2
InChIKeyVBKIPESWZLTYJC-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.19
Rot. Bonds

About 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (PubChem CID 73201048) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.

Molecular Properties

Compound Name12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
PubChem CID73201048
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESO=C1CCCC2C3CN4CCC(O)CC4C(CN12)C3O
InChIInChI=1S/C15H24N2O3/c18-9-4-5-16-7-10-12-2-1-3-14(19)17(12)8-11(15(10)20)13(16)6-9/h9-13,15,18,20H,1-8H2
InChIKeyVBKIPESWZLTYJC-UHFFFAOYSA-N
XLogP-0.19
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,9S,10S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 21139805
(8R,9aS)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 172908007
(1R,2R,9S,10S)-16-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 56927844
(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol
CID 82413598
(1R,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 134715220
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(2R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 5271983
(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 76970776
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 72710652
(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 6350977
(2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;perchloric acid
CID 171154156

Frequently Asked Questions

What is the IUPAC name of 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The IUPAC name of 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (CID 73201048) is 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
What is the SMILES notation for 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The canonical SMILES for 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is O=C1CCCC2C3CN4CCC(O)CC4C(CN12)C3O.
What is the InChIKey of 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The InChIKey is VBKIPESWZLTYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-9-4-5-16-7-10-12-2-1-3-14(19)17(12)8-11(15(10)20)13(16)6-9/h9-13,15,18,20H,1-8H2.
What are the key properties of 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one has a molecular weight of 280.37 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is sourced from PubChem (CID 73201048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).