(2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide

C11H16N2O — CID 131137659

IUPAC(2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
SMILESCNC(=O)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1
InChIInChI=1S/C11H16N2O/c1-12-11(14)13-5-9-7-2-3-8(4-7)10(9)6-13/h2-3,7-10H,4-6H2,1H3,(H,12,14)/t7?,8?,9-,10+
InChIKeyPBLBHTPMCOSNGR-OXYCZDQYSA-N
MW192.26 g/mol
LogP1.08
Rot. Bonds

About (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide

(2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide (PubChem CID 131137659) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
PubChem CID131137659
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
SMILESCNC(=O)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1
InChIInChI=1S/C11H16N2O/c1-12-11(14)13-5-9-7-2-3-8(4-7)10(9)6-13/h2-3,7-10H,4-6H2,1H3,(H,12,14)/t7?,8?,9-,10+
InChIKeyPBLBHTPMCOSNGR-OXYCZDQYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide?
The IUPAC name of (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide (CID 131137659) is (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide?
The canonical SMILES for (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide is CNC(=O)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1.
What is the InChIKey of (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide?
The InChIKey is PBLBHTPMCOSNGR-OXYCZDQYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-11(14)13-5-9-7-2-3-8(4-7)10(9)6-13/h2-3,7-10H,4-6H2,1H3,(H,12,14)/t7?,8?,9-,10+.
What are the key properties of (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide?
(2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide is sourced from PubChem (CID 131137659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).