3-cyanocyclobutane-1-carboxamide

C6H8N2O — CID 168932010

IUPAC3-cyanocyclobutane-1-carboxamide
SMILESN#CC1CC(C(N)=O)C1
InChIInChI=1S/C6H8N2O/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-2H2,(H2,8,9)
InChIKeySHCSPLMFNLILGU-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.02
Rot. Bonds1

About 3-cyanocyclobutane-1-carboxamide

3-cyanocyclobutane-1-carboxamide (PubChem CID 168932010) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-cyanocyclobutane-1-carboxamide
PubChem CID168932010
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3-cyanocyclobutane-1-carboxamide
SMILESN#CC1CC(C(N)=O)C1
InChIInChI=1S/C6H8N2O/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-2H2,(H2,8,9)
InChIKeySHCSPLMFNLILGU-UHFFFAOYSA-N
XLogP0.02
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide
CID 89421009
trans-(1R,3R)-3-cyanocyclohexane-1-carboxamide
CID 89420960
methyl 3-cyanocyclobutane-1-carboxylate
CID 73425273
[(3aS,6aR)-5-cyano-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl] carbamate
CID 118035515
3,5-dicyano-4,4-dipropylcyclohexane-1-carboxamide
CID 67646365
3,5-dihydroxycyclohexane-1-carboxamide
CID 117046519
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 141100816
trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide
CID 169449238
4-cyanocyclohexane-1-carbonyl chloride
CID 12653192
3-acetylcyclohexane-1-carbonitrile
CID 118513837
lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide
CID 175765864

Frequently Asked Questions

What is the IUPAC name of 3-cyanocyclobutane-1-carboxamide?
The IUPAC name of 3-cyanocyclobutane-1-carboxamide (CID 168932010) is 3-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for 3-cyanocyclobutane-1-carboxamide?
The canonical SMILES for 3-cyanocyclobutane-1-carboxamide is N#CC1CC(C(N)=O)C1.
What is the InChIKey of 3-cyanocyclobutane-1-carboxamide?
The InChIKey is SHCSPLMFNLILGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-2H2,(H2,8,9).
What are the key properties of 3-cyanocyclobutane-1-carboxamide?
3-cyanocyclobutane-1-carboxamide has a molecular weight of 124.14 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 168932010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).