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

C10H16N2O — CID 71450171

IUPACcyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESO=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1
InChIInChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/m0/s1
InChIKeyHFALPZZGNQXIMP-IONNQARKSA-N
MW180.25 g/mol
LogP0.22
Rot. Bonds1

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

cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 71450171) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID71450171
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESO=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1
InChIInChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/m0/s1
InChIKeyHFALPZZGNQXIMP-IONNQARKSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 71450171) is cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone is O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1.
What is the InChIKey of cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is HFALPZZGNQXIMP-IONNQARKSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/m0/s1.
What are the key properties of cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 180.25 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 71450171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).