(1R)-1,2,2-tricyanocyclopropane-1-carboxamide

C7H4N4O — CID 26412689

IUPAC(1R)-1,2,2-tricyanocyclopropane-1-carboxamide
SMILESN#CC1(C#N)C[C@@]1(C#N)C(N)=O
InChIInChI=1S/C7H4N4O/c8-2-6(3-9)1-7(6,4-10)5(11)12/h1H2,(H2,11,12)/t7-/m1/s1
InChIKeyUUQTVALIVPDXHM-SSDOTTSWSA-N
MW160.14 g/mol
LogP-0.58
Rot. Bonds1

About (1R)-1,2,2-tricyanocyclopropane-1-carboxamide

(1R)-1,2,2-tricyanocyclopropane-1-carboxamide (PubChem CID 26412689) has the molecular formula C7H4N4O and a molecular weight of 160.14 g/mol. Its IUPAC name is (1R)-1,2,2-tricyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-1,2,2-tricyanocyclopropane-1-carboxamide
PubChem CID26412689
Molecular FormulaC7H4N4O
Molecular Weight160.14 g/mol
Exact Mass160.04
IUPAC Name(1R)-1,2,2-tricyanocyclopropane-1-carboxamide
SMILESN#CC1(C#N)C[C@@]1(C#N)C(N)=O
InChIInChI=1S/C7H4N4O/c8-2-6(3-9)1-7(6,4-10)5(11)12/h1H2,(H2,11,12)/t7-/m1/s1
InChIKeyUUQTVALIVPDXHM-SSDOTTSWSA-N
XLogP-0.58
TPSA114.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-2,2-difluorocyclopropane-1-carboxamide
CID 45084271
1-cyano-2,2-difluorocyclopropane-1-carboxylic acid
CID 45084701
2,2-dichloro-1-cyanocyclopropane-1-carboxylic acid
CID 14318178
1,3-dicyano-2,2-dimethylcyclobutane-1,3-dicarboxylic acid
CID 4179634
3,3,4-tricyano-2H-pyran-4-carboxamide
CID 133064348
cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide
CID 6932728
4-cyano-4-methylpiperidine-1-carboxamide
CID 103975376
trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide
CID 165469579
1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid
CID 22182726
2-cyano-1-methylpyrrolidine-2-carboxamide
CID 121227036
2-acetyl-5-cyano-2-methyl-1,3-dioxane-5-carboxamide
CID 70992054
2-[(2R)-2-cyanocyclopropyl]acetamide
CID 89422848

Frequently Asked Questions

What is the IUPAC name of (1R)-1,2,2-tricyanocyclopropane-1-carboxamide?
The IUPAC name of (1R)-1,2,2-tricyanocyclopropane-1-carboxamide (CID 26412689) is (1R)-1,2,2-tricyanocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-1,2,2-tricyanocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-1,2,2-tricyanocyclopropane-1-carboxamide is N#CC1(C#N)C[C@@]1(C#N)C(N)=O.
What is the InChIKey of (1R)-1,2,2-tricyanocyclopropane-1-carboxamide?
The InChIKey is UUQTVALIVPDXHM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H4N4O/c8-2-6(3-9)1-7(6,4-10)5(11)12/h1H2,(H2,11,12)/t7-/m1/s1.
What are the key properties of (1R)-1,2,2-tricyanocyclopropane-1-carboxamide?
(1R)-1,2,2-tricyanocyclopropane-1-carboxamide has a molecular weight of 160.14 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2,2-tricyanocyclopropane-1-carboxamide is sourced from PubChem (CID 26412689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).