7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

C15H25N2O+ — CID 3794202

IUPAC7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESO=C1CCCC2C3CC(CN12)C1CCCC[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
InChIKeyJYIJIIVLEOETIQ-UHFFFAOYSA-O
MW249.38 g/mol
LogP0.45
Rot. Bonds

About 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (PubChem CID 3794202) has the molecular formula C15H25N2O+ and a molecular weight of 249.38 g/mol. Its IUPAC name is 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.

Molecular Properties

Compound Name7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
PubChem CID3794202
Molecular FormulaC15H25N2O+
Molecular Weight249.38 g/mol
Exact Mass249.20
IUPAC Name7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESO=C1CCCC2C3CC(CN12)C1CCCC[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
InChIKeyJYIJIIVLEOETIQ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The IUPAC name of 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (CID 3794202) is 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
What is the SMILES notation for 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The canonical SMILES for 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is O=C1CCCC2C3CC(CN12)C1CCCC[NH+]1C3.
What is the InChIKey of 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The InChIKey is JYIJIIVLEOETIQ-UHFFFAOYSA-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.
What are the key properties of 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
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 7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is sourced from PubChem (CID 3794202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).