2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide

C12H20N2O — CID 174496541

IUPAC2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C#N.CC1(C)CC1C(N)=O
InChIInChI=1S/C6H11NO.C6H9N/c1-6(2)3-4(6)5(7)8;1-6(2)3-5(6)4-7/h4H,3H2,1-2H3,(H2,7,8);5H,3H2,1-2H3
InChIKeyGONVMSKLGBKSII-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.07
Rot. Bonds1

About 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide

2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 174496541) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide
PubChem CID174496541
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C#N.CC1(C)CC1C(N)=O
InChIInChI=1S/C6H11NO.C6H9N/c1-6(2)3-4(6)5(7)8;1-6(2)3-5(6)4-7/h4H,3H2,1-2H3,(H2,7,8);5H,3H2,1-2H3
InChIKeyGONVMSKLGBKSII-UHFFFAOYSA-N
XLogP2.07
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide (CID 174496541) is 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C#N.CC1(C)CC1C(N)=O.
What is the InChIKey of 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is GONVMSKLGBKSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H9N/c1-6(2)3-4(6)5(7)8;1-6(2)3-5(6)4-7/h4H,3H2,1-2H3,(H2,7,8);5H,3H2,1-2H3.
What are the key properties of 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide?
2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 174496541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).