(1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

C15H25N2O+ — CID 6987464

IUPAC(1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESO=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCC[NH+]1C3
InChIInChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m0/s1
InChIKeyJYIJIIVLEOETIQ-XDQVBPFNSA-O
MW249.38 g/mol
LogP0.45
Rot. Bonds

About (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

(1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (PubChem CID 6987464) has the molecular formula C15H25N2O+ and a molecular weight of 249.38 g/mol. Its IUPAC name is (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.

Molecular Properties

Compound Name(1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
PubChem CID6987464
Molecular FormulaC15H25N2O+
Molecular Weight249.38 g/mol
Exact Mass249.20
IUPAC Name(1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESO=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCC[NH+]1C3
InChIInChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m0/s1
InChIKeyJYIJIIVLEOETIQ-XDQVBPFNSA-O
XLogP0.45
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one with MolForge

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Related Compounds

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(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
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(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
Leontine
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Isomatrine
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The IUPAC name of (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (CID 6987464) is (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
What is the SMILES notation for (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The canonical SMILES for (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCC[NH+]1C3.
What is the InChIKey of (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The InChIKey is JYIJIIVLEOETIQ-XDQVBPFNSA-O. The full InChI is InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m0/s1.
What are the key properties of (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
(1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one has a molecular weight of 249.38 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9S,10S)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is sourced from PubChem (CID 6987464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).