(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C12H20N2O — CID 22215312

IUPAC(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCN1C[C@@H]2C[C@H](C1)C1CCCC(=O)N1C2
InChIInChI=1S/C12H20N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h9-11H,2-8H2,1H3/t9-,10+,11?/m0/s1
InChIKeyONDDMIQCYQALKD-MTULOOOASA-N
MW208.30 g/mol
LogP0.95
Rot. Bonds

About (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 22215312) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID22215312
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCN1C[C@@H]2C[C@H](C1)C1CCCC(=O)N1C2
InChIInChI=1S/C12H20N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h9-11H,2-8H2,1H3/t9-,10+,11?/m0/s1
InChIKeyONDDMIQCYQALKD-MTULOOOASA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 22215312) is (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is CN1C[C@@H]2C[C@H](C1)C1CCCC(=O)N1C2.
What is the InChIKey of (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is ONDDMIQCYQALKD-MTULOOOASA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h9-11H,2-8H2,1H3/t9-,10+,11?/m0/s1.
What are the key properties of (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 208.30 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 22215312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).