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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Related Compounds

(2R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 3083799
(1R,2R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 162966905
11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 76659535
(1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 157101765
(1R,2R,9R)-11-(2-ethylbutanoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194930
(1R,2R,9R)-11-(3,3-dimethylbutanoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194972
(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 16637618
(1R,2R,9R)-11-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195128
(1R,9S)-11-[2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]ethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 10500484
N-[3-(azepan-1-yl)propyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
CID 110195143
(1R,2R,9R)-11-(2-ethylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195034
(2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804188

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).