11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C13H22N2O — CID 165351264

IUPAC11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCCN1CC2CC(C1)C1CCCC(=O)N1C2
InChIInChI=1S/C13H22N2O/c1-2-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h10-12H,2-9H2,1H3
InChIKeyLRDWBDXBFHPTGD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.34
Rot. Bonds1

About 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 165351264) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID165351264
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCCN1CC2CC(C1)C1CCCC(=O)N1C2
InChIInChI=1S/C13H22N2O/c1-2-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h10-12H,2-9H2,1H3
InChIKeyLRDWBDXBFHPTGD-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 165351264) is 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is CCN1CC2CC(C1)C1CCCC(=O)N1C2.
What is the InChIKey of 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is LRDWBDXBFHPTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h10-12H,2-9H2,1H3.
What are the key properties of 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 222.33 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 165351264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).