[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone

C11H18N2O — CID 67130677

IUPAC[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H18N2O/c1-7-2-10(7)11(14)13-5-8-3-9(6-13)12-4-8/h7-10,12H,2-6H2,1H3/t7?,8-,9-,10?/m0/s1
InChIKeyYGXQJOKCFMKACL-ZNHWEVIXSA-N
MW194.28 g/mol
LogP0.46
Rot. Bonds1

About [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone

[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone (PubChem CID 67130677) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone
PubChem CID67130677
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H18N2O/c1-7-2-10(7)11(14)13-5-8-3-9(6-13)12-4-8/h7-10,12H,2-6H2,1H3/t7?,8-,9-,10?/m0/s1
InChIKeyYGXQJOKCFMKACL-ZNHWEVIXSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone (CID 67130677) is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1C[C@@H]2CN[C@@H](C2)C1.
What is the InChIKey of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is YGXQJOKCFMKACL-ZNHWEVIXSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-2-10(7)11(14)13-5-8-3-9(6-13)12-4-8/h7-10,12H,2-6H2,1H3/t7?,8-,9-,10?/m0/s1.
What are the key properties of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone?
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 67130677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).