trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide

C5H6N2O — CID 169449238

IUPACtrans-(1R,2S)-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@H]1C[C@H]1C(N)=O
InChIInChI=1S/C5H6N2O/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H2,7,8)/t3-,4-/m1/s1
InChIKeyFRWRFJHQQILMLZ-QWWZWVQMSA-N
MW110.12 g/mol
LogP-0.37
Rot. Bonds1

About trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide

trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide (PubChem CID 169449238) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-cyanocyclopropane-1-carboxamide
PubChem CID169449238
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Nametrans-(1R,2S)-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@H]1C[C@H]1C(N)=O
InChIInChI=1S/C5H6N2O/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H2,7,8)/t3-,4-/m1/s1
InChIKeyFRWRFJHQQILMLZ-QWWZWVQMSA-N
XLogP-0.37
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-2-cyanocyclopropane-1-carbothioyl chloride
CID 54493361
2-[(2R)-2-cyanocyclopropyl]acetamide
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2-(cyanomethyl)cyclopropane-1-carboxamide
CID 154032477
3-cyanocyclobutane-1-carboxamide
CID 168932010
trans-(1R,2R)-2-aminocyclopropane-1-carboxamide
CID 89465194
2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile
CID 58392266
cis-(1R,2R)-2-fluorocyclopropane-1-carboxamide
CID 119095885
2-sulfanylcyclopropane-1-carboxamide
CID 123387138
trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide
CID 89421009
5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130660787
trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
CID 13039560
cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid
CID 93311791

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide (CID 169449238) is trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide is N#C[C@H]1C[C@H]1C(N)=O.
What is the InChIKey of trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide?
The InChIKey is FRWRFJHQQILMLZ-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H6N2O/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H2,7,8)/t3-,4-/m1/s1.
What are the key properties of trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide?
trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide has a molecular weight of 110.12 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 169449238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).