(1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one

C15H24N2O — CID 91746797

IUPAC(1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one
SMILESC=CCC1[C@H]2C[C@H](CN1C)CN1CCC(=O)CC21
InChIInChI=1S/C15H24N2O/c1-3-4-14-13-7-11(9-16(14)2)10-17-6-5-12(18)8-15(13)17/h3,11,13-15H,1,4-10H2,2H3/t11-,13-,14?,15?/m1/s1
InChIKeyQQUUXSNDZUAQQT-QSFCEBDXSA-N
MW248.37 g/mol
LogP1.55
Rot. Bonds2

About (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one

(1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one (PubChem CID 91746797) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one.

Molecular Properties

Compound Name(1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one
PubChem CID91746797
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one
SMILESC=CCC1[C@H]2C[C@H](CN1C)CN1CCC(=O)CC21
InChIInChI=1S/C15H24N2O/c1-3-4-14-13-7-11(9-16(14)2)10-17-6-5-12(18)8-15(13)17/h3,11,13-15H,1,4-10H2,2H3/t11-,13-,14?,15?/m1/s1
InChIKeyQQUUXSNDZUAQQT-QSFCEBDXSA-N
XLogP1.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one?
The IUPAC name of (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one (CID 91746797) is (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one.
What is the SMILES notation for (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one?
The canonical SMILES for (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one is C=CCC1[C@H]2C[C@H](CN1C)CN1CCC(=O)CC21.
What is the InChIKey of (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one?
The InChIKey is QQUUXSNDZUAQQT-QSFCEBDXSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-14-13-7-11(9-16(14)2)10-17-6-5-12(18)8-15(13)17/h3,11,13-15H,1,4-10H2,2H3/t11-,13-,14?,15?/m1/s1.
What are the key properties of (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one?
(1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one has a molecular weight of 248.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-11-methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-4-one is sourced from PubChem (CID 91746797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).