trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide

C7H10N2O — CID 89421009

IUPACtrans-(1R,3R)-3-cyanocyclopentane-1-carboxamide
SMILESN#C[C@@H]1CC[C@@H](C(N)=O)C1
InChIInChI=1S/C7H10N2O/c8-4-5-1-2-6(3-5)7(9)10/h5-6H,1-3H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyVCXGRGDIHBKKRY-PHDIDXHHSA-N
MW138.17 g/mol
LogP0.41
Rot. Bonds1

About trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide

trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide (PubChem CID 89421009) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-cyanocyclopentane-1-carboxamide
PubChem CID89421009
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Nametrans-(1R,3R)-3-cyanocyclopentane-1-carboxamide
SMILESN#C[C@@H]1CC[C@@H](C(N)=O)C1
InChIInChI=1S/C7H10N2O/c8-4-5-1-2-6(3-5)7(9)10/h5-6H,1-3H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyVCXGRGDIHBKKRY-PHDIDXHHSA-N
XLogP0.41
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-cyanocyclohexane-1-carboxamide
CID 89420960
3-cyanocyclobutane-1-carboxamide
CID 168932010
4-cyanocyclohexane-1-carbonyl chloride
CID 12653192
3-acetylcyclohexane-1-carbonitrile
CID 118513837
lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide
CID 175765864
cis-(1S,3R)-3-methylcyclopentane-1-carboxamide
CID 142105884
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
3-aminocyclopentane-1-carbonitrile;hydrobromide
CID 134819024
(4-cyanocyclohexyl) 4-hydroxycyclohexane-1-carboxylate
CID 90054944
methyl 3-cyanocyclobutane-1-carboxylate
CID 73425273
formamide;3-hydroxycyclopentane-1-carboxamide
CID 143223866
(1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride
CID 121228925

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide (CID 89421009) is trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide is N#C[C@@H]1CC[C@@H](C(N)=O)C1.
What is the InChIKey of trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide?
The InChIKey is VCXGRGDIHBKKRY-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H10N2O/c8-4-5-1-2-6(3-5)7(9)10/h5-6H,1-3H2,(H2,9,10)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide?
trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide has a molecular weight of 138.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 89421009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).