(1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one

C11H18N2O — CID 58181072

IUPAC(1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
SMILESCC1C[C@H]2CN(C)C(=O)[C@]23CCCN13
InChIInChI=1S/C11H18N2O/c1-8-6-9-7-12(2)10(14)11(9)4-3-5-13(8)11/h8-9H,3-7H2,1-2H3/t8?,9-,11-/m0/s1
InChIKeyUEXQIRUVFSTMPM-PCFYAGROSA-N
MW194.28 g/mol
LogP0.70
Rot. Bonds

About (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one

(1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one (PubChem CID 58181072) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one.

Molecular Properties

Compound Name(1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
PubChem CID58181072
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
SMILESCC1C[C@H]2CN(C)C(=O)[C@]23CCCN13
InChIInChI=1S/C11H18N2O/c1-8-6-9-7-12(2)10(14)11(9)4-3-5-13(8)11/h8-9H,3-7H2,1-2H3/t8?,9-,11-/m0/s1
InChIKeyUEXQIRUVFSTMPM-PCFYAGROSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one?
The IUPAC name of (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one (CID 58181072) is (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one.
What is the SMILES notation for (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one?
The canonical SMILES for (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one is CC1C[C@H]2CN(C)C(=O)[C@]23CCCN13.
What is the InChIKey of (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one?
The InChIKey is UEXQIRUVFSTMPM-PCFYAGROSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-9-7-12(2)10(14)11(9)4-3-5-13(8)11/h8-9H,3-7H2,1-2H3/t8?,9-,11-/m0/s1.
What are the key properties of (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one?
(1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one has a molecular weight of 194.28 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3,7-dimethyl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one is sourced from PubChem (CID 58181072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).