1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide

C12H20N2O — CID 80598099

IUPAC1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
SMILESCCC(C)(C)NC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C12H20N2O/c1-5-11(3,4)14-10(15)12(8-13)6-9(2)7-12/h9H,5-7H2,1-4H3,(H,14,15)
InChIKeyZWXYXDDOUASYEP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.23
Rot. Bonds3

About 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide (PubChem CID 80598099) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
PubChem CID80598099
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
SMILESCCC(C)(C)NC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C12H20N2O/c1-5-11(3,4)14-10(15)12(8-13)6-9(2)7-12/h9H,5-7H2,1-4H3,(H,14,15)
InChIKeyZWXYXDDOUASYEP-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide (CID 80598099) is 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide is CCC(C)(C)NC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is ZWXYXDDOUASYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-11(3,4)14-10(15)12(8-13)6-9(2)7-12/h9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80598099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).