(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile

C7H10N2 — CID 98092349

IUPAC(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile
SMILESN#C[C@@H]1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C7H10N2/c8-3-5-1-7-2-6(5)4-9-7/h5-7,9H,1-2,4H2/t5-,6+,7-/m0/s1
InChIKeyZYGSYWNTOIZIMA-XVMARJQXSA-N
MW122.17 g/mol
LogP0.51
Rot. Bonds

About (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile

(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile (PubChem CID 98092349) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile.

Molecular Properties

Compound Name(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile
PubChem CID98092349
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile
SMILESN#C[C@@H]1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C7H10N2/c8-3-5-1-7-2-6(5)4-9-7/h5-7,9H,1-2,4H2/t5-,6+,7-/m0/s1
InChIKeyZYGSYWNTOIZIMA-XVMARJQXSA-N
XLogP0.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile?
The IUPAC name of (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile (CID 98092349) is (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile.
What is the SMILES notation for (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile?
The canonical SMILES for (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile is N#C[C@@H]1C[C@H]2C[C@@H]1CN2.
What is the InChIKey of (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile?
The InChIKey is ZYGSYWNTOIZIMA-XVMARJQXSA-N. The full InChI is InChI=1S/C7H10N2/c8-3-5-1-7-2-6(5)4-9-7/h5-7,9H,1-2,4H2/t5-,6+,7-/m0/s1.
What are the key properties of (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile?
(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile is sourced from PubChem (CID 98092349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).