N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide

C11H19N3O2 — CID 83016011

IUPACN-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NN1CCOCC1)C1CC2CCC1N2
InChIInChI=1S/C11H19N3O2/c15-11(13-14-3-5-16-6-4-14)9-7-8-1-2-10(9)12-8/h8-10,12H,1-7H2,(H,13,15)
InChIKeyGXXMEVRYCAVCGT-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.51
Rot. Bonds2

About N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 83016011) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID83016011
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NN1CCOCC1)C1CC2CCC1N2
InChIInChI=1S/C11H19N3O2/c15-11(13-14-3-5-16-6-4-14)9-7-8-1-2-10(9)12-8/h8-10,12H,1-7H2,(H,13,15)
InChIKeyGXXMEVRYCAVCGT-UHFFFAOYSA-N
XLogP-0.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 83016011) is N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NN1CCOCC1)C1CC2CCC1N2.
What is the InChIKey of N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GXXMEVRYCAVCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-11(13-14-3-5-16-6-4-14)9-7-8-1-2-10(9)12-8/h8-10,12H,1-7H2,(H,13,15).
What are the key properties of N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 83016011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).