1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide

C10H16N2O — CID 59860392

IUPAC1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1(C#N)CC1
InChIInChI=1S/C10H16N2O/c1-9(2,3)7-12-8(13)10(6-11)4-5-10/h4-5,7H2,1-3H3,(H,12,13)
InChIKeyKTDKLLSBVMUBFC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.45
Rot. Bonds2

About 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide

1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide (PubChem CID 59860392) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
PubChem CID59860392
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1(C#N)CC1
InChIInChI=1S/C10H16N2O/c1-9(2,3)7-12-8(13)10(6-11)4-5-10/h4-5,7H2,1-3H3,(H,12,13)
InChIKeyKTDKLLSBVMUBFC-UHFFFAOYSA-N
XLogP1.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide (CID 59860392) is 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide is CC(C)(C)CNC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide?
The InChIKey is KTDKLLSBVMUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2,3)7-12-8(13)10(6-11)4-5-10/h4-5,7H2,1-3H3,(H,12,13).
What are the key properties of 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide?
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59860392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).