5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one

C12H17NO — CID 58165596

IUPAC5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one
SMILESO=C1NC2CC3C4CCC(C4)C3CC12
InChIInChI=1S/C12H17NO/c14-12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13-12/h6-11H,1-5H2,(H,13,14)
InChIKeyCCPJWFUYIWGBGP-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.56
Rot. Bonds

About 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one

5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one (PubChem CID 58165596) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one.

Molecular Properties

Compound Name5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one
PubChem CID58165596
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one
SMILESO=C1NC2CC3C4CCC(C4)C3CC12
InChIInChI=1S/C12H17NO/c14-12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13-12/h6-11H,1-5H2,(H,13,14)
InChIKeyCCPJWFUYIWGBGP-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one?
The IUPAC name of 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one (CID 58165596) is 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one.
What is the SMILES notation for 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one?
The canonical SMILES for 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one is O=C1NC2CC3C4CCC(C4)C3CC12.
What is the InChIKey of 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one?
The InChIKey is CCPJWFUYIWGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13-12/h6-11H,1-5H2,(H,13,14).
What are the key properties of 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one?
5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one has a molecular weight of 191.27 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one is sourced from PubChem (CID 58165596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).