cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone

C10H16N2O — CID 58488107

IUPACcyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(C1CC1)N1CC2CNC(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
InChIKeyHFALPZZGNQXIMP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.22
Rot. Bonds1

About cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone

cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 58488107) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID58488107
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(C1CC1)N1CC2CNC(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
InChIKeyHFALPZZGNQXIMP-UHFFFAOYSA-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(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone (CID 58488107) is cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone is O=C(C1CC1)N1CC2CNC(C2)C1.
What is the InChIKey of cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is HFALPZZGNQXIMP-UHFFFAOYSA-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.
What are the key properties of cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone?
cyclopropyl(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(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 58488107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).