cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

C9H14N2O — CID 53242144

IUPACcyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESO=C(C1CC1)N1CC2CC(C1)N2
InChIInChI=1S/C9H14N2O/c12-9(6-1-2-6)11-4-7-3-8(5-11)10-7/h6-8,10H,1-5H2
InChIKeyHBRLNTBOOKFZCC-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.03
Rot. Bonds1

About cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (PubChem CID 53242144) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
PubChem CID53242144
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Namecyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESO=C(C1CC1)N1CC2CC(C1)N2
InChIInChI=1S/C9H14N2O/c12-9(6-1-2-6)11-4-7-3-8(5-11)10-7/h6-8,10H,1-5H2
InChIKeyHBRLNTBOOKFZCC-UHFFFAOYSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1S,2R)-2-fluorocyclopropyl]methanone
CID 53242107
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1R,2R)-2-methylcyclopropyl]methanone
CID 89273630
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 53242105
1-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)-2-methylpropan-1-one
CID 53242130
1-{3,6-Diazabicyclo[3.1.1]heptan-3-yl}ethan-1-one
CID 53242146
1-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)propan-1-one
CID 67235023
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1R,2R)-2-fluorocyclopropyl]methanone
CID 69920709
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1R,2S)-2-fluorocyclopropyl]methanone
CID 69920710
3,6-diazabicyclo[3.1.1]heptan-3-yl-[(1S,2S)-2-methylcyclopropyl]methanone
CID 69920740
3,6-Diazabicyclo[3.1.1]heptan-3-yl-(2,2-difluorocyclopropyl)methanone
CID 71099540
Cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
CID 89273598
1-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)butan-1-one
CID 89273612

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The IUPAC name of cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (CID 53242144) is cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.
What is the SMILES notation for cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The canonical SMILES for cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone is O=C(C1CC1)N1CC2CC(C1)N2.
What is the InChIKey of cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The InChIKey is HBRLNTBOOKFZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9(6-1-2-6)11-4-7-3-8(5-11)10-7/h6-8,10H,1-5H2.
What are the key properties of cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone has a molecular weight of 166.22 g/mol, XLogP of -0.03, 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[3.1.1]heptan-3-yl)methanone is sourced from PubChem (CID 53242144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).