N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide

C11H15N3O — CID 79100439

IUPACN-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nn1cccc1)C1CC2CCC1N2
InChIInChI=1S/C11H15N3O/c15-11(13-14-5-1-2-6-14)9-7-8-3-4-10(9)12-8/h1-2,5-6,8-10,12H,3-4,7H2,(H,13,15)
InChIKeyXVZOWTHFJNGARS-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.70
Rot. Bonds2

About N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 79100439) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID79100439
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nn1cccc1)C1CC2CCC1N2
InChIInChI=1S/C11H15N3O/c15-11(13-14-5-1-2-6-14)9-7-8-3-4-10(9)12-8/h1-2,5-6,8-10,12H,3-4,7H2,(H,13,15)
InChIKeyXVZOWTHFJNGARS-UHFFFAOYSA-N
XLogP0.70
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 79100439) is N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nn1cccc1)C1CC2CCC1N2.
What is the InChIKey of N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XVZOWTHFJNGARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11(13-14-5-1-2-6-14)9-7-8-3-4-10(9)12-8/h1-2,5-6,8-10,12H,3-4,7H2,(H,13,15).
What are the key properties of N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-yl-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 79100439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).