(1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione

C12H18N2O2 — CID 59897537

IUPAC(1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione
SMILESO=C1CCCN[C@H]2CC[C@H]3CC[C@@H]1N3C2=O
InChIInChI=1S/C12H18N2O2/c15-11-2-1-7-13-9-5-3-8-4-6-10(11)14(8)12(9)16/h8-10,13H,1-7H2/t8-,9-,10-/m0/s1
InChIKeyAHMARVBFYAAIRN-GUBZILKMSA-N
MW222.29 g/mol
LogP0.46
Rot. Bonds

About (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione

(1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione (PubChem CID 59897537) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione.

Molecular Properties

Compound Name(1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione
PubChem CID59897537
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione
SMILESO=C1CCCN[C@H]2CC[C@H]3CC[C@@H]1N3C2=O
InChIInChI=1S/C12H18N2O2/c15-11-2-1-7-13-9-5-3-8-4-6-10(11)14(8)12(9)16/h8-10,13H,1-7H2/t8-,9-,10-/m0/s1
InChIKeyAHMARVBFYAAIRN-GUBZILKMSA-N
XLogP0.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S,7R)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione
CID 59897538
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CID 59957181
9-methyl-9-azabicyclo[4.2.1]nonan-2-one
CID 14442490
2-cyclopropylpiperidin-3-one
CID 115011356
1-(2-oxocyclohexyl)azetidin-2-one
CID 22079671
2-pyrrolidin-2-ylcyclohexane-1,3-dione
CID 107430772
2-ethylpiperidin-3-one
CID 44890822
(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991
(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313
2-(azepan-2-yl)cycloheptane-1,3-dione
CID 107430820
3-cyclobutyl-1,3-diazepane-2,4-dione
CID 116658465
1-pyrrolidin-2-ylazetidin-2-one
CID 112546295

Frequently Asked Questions

What is the IUPAC name of (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione?
The IUPAC name of (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione (CID 59897537) is (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione.
What is the SMILES notation for (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione?
The canonical SMILES for (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione is O=C1CCCN[C@H]2CC[C@H]3CC[C@@H]1N3C2=O.
What is the InChIKey of (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione?
The InChIKey is AHMARVBFYAAIRN-GUBZILKMSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-2-1-7-13-9-5-3-8-4-6-10(11)14(8)12(9)16/h8-10,13H,1-7H2/t8-,9-,10-/m0/s1.
What are the key properties of (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione?
(1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione has a molecular weight of 222.29 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,7S)-8,13-diazatricyclo[5.5.2.04,13]tetradecane-12,14-dione is sourced from PubChem (CID 59897537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).