8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one

C13H19NO — CID 173144513

IUPAC8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one
SMILESO=C1CC2NC3CCCCC3C2C2CC12
InChIInChI=1S/C13H19NO/c15-12-6-11-13(9-5-8(9)12)7-3-1-2-4-10(7)14-11/h7-11,13-14H,1-6H2
InChIKeySRDUBFSNWVMVMW-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.74
Rot. Bonds

About 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one

8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one (PubChem CID 173144513) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one.

Molecular Properties

Compound Name8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one
PubChem CID173144513
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one
SMILESO=C1CC2NC3CCCCC3C2C2CC12
InChIInChI=1S/C13H19NO/c15-12-6-11-13(9-5-8(9)12)7-3-1-2-4-10(7)14-11/h7-11,13-14H,1-6H2
InChIKeySRDUBFSNWVMVMW-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one?
The IUPAC name of 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one (CID 173144513) is 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one.
What is the SMILES notation for 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one?
The canonical SMILES for 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one is O=C1CC2NC3CCCCC3C2C2CC12.
What is the InChIKey of 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one?
The InChIKey is SRDUBFSNWVMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-12-6-11-13(9-5-8(9)12)7-3-1-2-4-10(7)14-11/h7-11,13-14H,1-6H2.
What are the key properties of 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one?
8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one has a molecular weight of 205.30 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one is sourced from PubChem (CID 173144513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).