cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone

C9H14N2O — CID 77430458

IUPACcyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
SMILESO=C(C1CC1)N1CC2CC1CN2
InChIInChI=1S/C9H14N2O/c12-9(6-1-2-6)11-5-7-3-8(11)4-10-7/h6-8,10H,1-5H2
InChIKeyNLJJDGMMYFQBFJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.03
Rot. Bonds1

About cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone

cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 77430458) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID77430458
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Namecyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
SMILESO=C(C1CC1)N1CC2CC1CN2
InChIInChI=1S/C9H14N2O/c12-9(6-1-2-6)11-5-7-3-8(11)4-10-7/h6-8,10H,1-5H2
InChIKeyNLJJDGMMYFQBFJ-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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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone (CID 77430458) is cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone is O=C(C1CC1)N1CC2CC1CN2.
What is the InChIKey of cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is NLJJDGMMYFQBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9(6-1-2-6)11-5-7-3-8(11)4-10-7/h6-8,10H,1-5H2.
What are the key properties of cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone?
cyclopropyl(2,5-diazabicyclo[2.2.1]heptan-2-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(2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 77430458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).