(1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C11H16N2O2 — CID 139213960

IUPAC(1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESNCCN1C(=O)C2[C@@H]3CC[C@H](C3)[C@H]2C1=O
InChIInChI=1S/C11H16N2O2/c12-3-4-13-10(14)8-6-1-2-7(5-6)9(8)11(13)15/h6-9H,1-5,12H2/t6-,7-,8-,9?/m1/s1
InChIKeyRXKSOZIDJZWJBF-BYBOBHAWSA-N
MW208.26 g/mol
LogP-0.02
Rot. Bonds2

About (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

(1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 139213960) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID139213960
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESNCCN1C(=O)C2[C@@H]3CC[C@H](C3)[C@H]2C1=O
InChIInChI=1S/C11H16N2O2/c12-3-4-13-10(14)8-6-1-2-7(5-6)9(8)11(13)15/h6-9H,1-5,12H2/t6-,7-,8-,9?/m1/s1
InChIKeyRXKSOZIDJZWJBF-BYBOBHAWSA-N
XLogP-0.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 139213960) is (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is NCCN1C(=O)C2[C@@H]3CC[C@H](C3)[C@H]2C1=O.
What is the InChIKey of (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is RXKSOZIDJZWJBF-BYBOBHAWSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-3-4-13-10(14)8-6-1-2-7(5-6)9(8)11(13)15/h6-9H,1-5,12H2/t6-,7-,8-,9?/m1/s1.
What are the key properties of (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
(1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 208.26 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R)-4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 139213960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).