5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide

C8H11N3O — CID 130660787

IUPAC5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESN#CC1CC2CC1CN2C(N)=O
InChIInChI=1S/C8H11N3O/c9-3-5-1-7-2-6(5)4-11(7)8(10)12/h5-7H,1-2,4H2,(H2,10,12)
InChIKeyRKRYXBHKHUQUOP-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.30
Rot. Bonds

About 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide

5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 130660787) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID130660787
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESN#CC1CC2CC1CN2C(N)=O
InChIInChI=1S/C8H11N3O/c9-3-5-1-7-2-6(5)4-11(7)8(10)12/h5-7H,1-2,4H2,(H2,10,12)
InChIKeyRKRYXBHKHUQUOP-UHFFFAOYSA-N
XLogP0.30
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 139345707
trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide
CID 169449238
(1S,4R,5S)-5-cyano-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 170617226
4-(2-cyanoaziridin-1-yl)-4-oxobutanamide
CID 23461500
7-cyano-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 57319517
2-[(2R)-2-cyanocyclopropyl]acetamide
CID 89422848
(1S,2R,5R)-3-acetyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile
CID 93498252
4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one;2-cyanoaziridine-1-carboxamide
CID 159815803
(2S,3S)-3-cyano-2-methylazetidine-1-carboxylic acid
CID 146452830
ethyl (1S,4S,7S)-7-cyano-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 177435387
1-(2-cyanocyclopentyl)azetidine-3-carboxamide
CID 131048718
(1R,2S,5S)-3-(2-bromoacetyl)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
CID 170605903

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 130660787) is 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide is N#CC1CC2CC1CN2C(N)=O.
What is the InChIKey of 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RKRYXBHKHUQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-3-5-1-7-2-6(5)4-11(7)8(10)12/h5-7H,1-2,4H2,(H2,10,12).
What are the key properties of 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide?
5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 130660787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).