(1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C14H24N2O — CID 157101765

IUPAC(1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCC(C)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
InChIInChI=1S/C14H24N2O/c1-10(2)15-7-11-6-12(9-15)13-4-3-5-14(17)16(13)8-11/h10-13H,3-9H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeySSPQBZSUEGKRSL-XQQFMLRXSA-N
MW236.36 g/mol
LogP1.73
Rot. Bonds1

About (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 157101765) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID157101765
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCC(C)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2
InChIInChI=1S/C14H24N2O/c1-10(2)15-7-11-6-12(9-15)13-4-3-5-14(17)16(13)8-11/h10-13H,3-9H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeySSPQBZSUEGKRSL-XQQFMLRXSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 157101765) is (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is CC(C)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2.
What is the InChIKey of (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is SSPQBZSUEGKRSL-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)15-7-11-6-12(9-15)13-4-3-5-14(17)16(13)8-11/h10-13H,3-9H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 236.36 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9S)-11-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 157101765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).