N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide

C11H14N2O — CID 114417346

IUPACN-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESC#CC(C)NC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C11H14N2O/c1-4-9(3)13-10(14)11(7-12)5-8(2)6-11/h1,8-9H,5-6H2,2-3H3,(H,13,14)
InChIKeyKHNGHBSTJNIZTC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.06
Rot. Bonds2

About N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide

N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide (PubChem CID 114417346) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide
PubChem CID114417346
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESC#CC(C)NC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C11H14N2O/c1-4-9(3)13-10(14)11(7-12)5-8(2)6-11/h1,8-9H,5-6H2,2-3H3,(H,13,14)
InChIKeyKHNGHBSTJNIZTC-UHFFFAOYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
CID 104828325
1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502263
1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide
CID 80502292
1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 80502059
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80598331
1-cyano-3-methyl-N-(1-methylcyclopentyl)cyclobutane-1-carboxamide
CID 80592452
1-cyano-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 113255770
1-cyano-N-(2-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 115693613
1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80502048
1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide
CID 103770292
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617272
1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 115692845

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide (CID 114417346) is N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide is C#CC(C)NC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide?
The InChIKey is KHNGHBSTJNIZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-9(3)13-10(14)11(7-12)5-8(2)6-11/h1,8-9H,5-6H2,2-3H3,(H,13,14).
What are the key properties of N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide?
N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-1-cyano-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 114417346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).