12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate

C15H22N2O2 — CID 163151365

IUPAC12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate
SMILES[O-]C1=CC=CC2C3CC(C[NH+]12)C1CC(O)CCN1C3
InChIInChI=1S/C15H22N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-14,18-19H,4-9H2
InChIKeyFDIJAEVIRJEPPU-UHFFFAOYSA-N
MW262.35 g/mol
LogP-1.51
Rot. Bonds

About 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate

12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate (PubChem CID 163151365) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate.

Molecular Properties

Compound Name12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate
PubChem CID163151365
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate
SMILES[O-]C1=CC=CC2C3CC(C[NH+]12)C1CC(O)CCN1C3
InChIInChI=1S/C15H22N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-14,18-19H,4-9H2
InChIKeyFDIJAEVIRJEPPU-UHFFFAOYSA-N
XLogP-1.51
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate with MolForge

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Related Compounds

(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
CID 162992981
(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol
CID 82413598
(1S,2R,4R,5S,9S,10S,12S)-4,5,12-trihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 15939845
(1S,2R,9S,10S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 21139805
12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 73201048
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol
CID 81198941
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
(3S,4R,5R,6R)-1-azabicyclo[4.2.0]octane-3,4,5-triol
CID 46862440
(2R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2,8-diol
CID 10820830
4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 73201092
(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
CID 11148002

Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate?
The IUPAC name of 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate (CID 163151365) is 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate.
What is the SMILES notation for 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate?
The canonical SMILES for 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate is [O-]C1=CC=CC2C3CC(C[NH+]12)C1CC(O)CCN1C3.
What is the InChIKey of 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate?
The InChIKey is FDIJAEVIRJEPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-14,18-19H,4-9H2.
What are the key properties of 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate?
12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate has a molecular weight of 262.35 g/mol, XLogP of -1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-3,5-dien-6-olate is sourced from PubChem (CID 163151365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).