N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H16N2O — CID 61365135

IUPACN-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C#N)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C11H16N2O/c1-7(6-12)13-11(14)10-5-8-2-3-9(10)4-8/h7-10H,2-5H2,1H3,(H,13,14)
InChIKeyAZXZTIYQZKKYMK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.45
Rot. Bonds2

About N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 61365135) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID61365135
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C#N)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C11H16N2O/c1-7(6-12)13-11(14)10-5-8-2-3-9(10)4-8/h7-10H,2-5H2,1H3,(H,13,14)
InChIKeyAZXZTIYQZKKYMK-UHFFFAOYSA-N
XLogP1.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 61365534
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-hydroxybutanoic acid
CID 43209742
N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65191228
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid
CID 43209835
N-(1-chlorobutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114294540
2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
CID 43631080
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103512804
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 61365135) is N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C#N)NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AZXZTIYQZKKYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(6-12)13-11(14)10-5-8-2-3-9(10)4-8/h7-10H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 61365135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).