N-butan-2-yl-1-cyanocyclobutane-1-carboxamide

C10H16N2O — CID 78994718

IUPACN-butan-2-yl-1-cyanocyclobutane-1-carboxamide
SMILESCCC(C)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C10H16N2O/c1-3-8(2)12-9(13)10(7-11)5-4-6-10/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyRMVKRRKSLHIEEW-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds3

About N-butan-2-yl-1-cyanocyclobutane-1-carboxamide

N-butan-2-yl-1-cyanocyclobutane-1-carboxamide (PubChem CID 78994718) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-butan-2-yl-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-cyanocyclobutane-1-carboxamide
PubChem CID78994718
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-butan-2-yl-1-cyanocyclobutane-1-carboxamide
SMILESCCC(C)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C10H16N2O/c1-3-8(2)12-9(13)10(7-11)5-4-6-10/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyRMVKRRKSLHIEEW-UHFFFAOYSA-N
XLogP1.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55025382
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide
CID 115636303
1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
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1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
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1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80591827
N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 125499832
1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide
CID 80592453
methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate
CID 80599690
1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
CID 62045712
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293
1-cyano-N-(1-cyclopentylethyl)cyclobutane-1-carboxamide
CID 78994521

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-cyanocyclobutane-1-carboxamide (CID 78994718) is N-butan-2-yl-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-cyanocyclobutane-1-carboxamide is CCC(C)NC(=O)C1(C#N)CCC1.
What is the InChIKey of N-butan-2-yl-1-cyanocyclobutane-1-carboxamide?
The InChIKey is RMVKRRKSLHIEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-8(2)12-9(13)10(7-11)5-4-6-10/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-yl-1-cyanocyclobutane-1-carboxamide?
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 78994718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).