1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile

C11H16N2O — CID 80591939

IUPAC1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCC1(C)CCCN1C(=O)C1(C#N)CC1
InChIInChI=1S/C11H16N2O/c1-10(2)4-3-7-13(10)9(14)11(8-12)5-6-11/h3-7H2,1-2H3
InChIKeyTXEKUBPXSBJAMO-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.69
Rot. Bonds1

About 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile

1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 80591939) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID80591939
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCC1(C)CCCN1C(=O)C1(C#N)CC1
InChIInChI=1S/C11H16N2O/c1-10(2)4-3-7-13(10)9(14)11(8-12)5-6-11/h3-7H2,1-2H3
InChIKeyTXEKUBPXSBJAMO-UHFFFAOYSA-N
XLogP1.69
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile (CID 80591939) is 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile is CC1(C)CCCN1C(=O)C1(C#N)CC1.
What is the InChIKey of 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is TXEKUBPXSBJAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-10(2)4-3-7-13(10)9(14)11(8-12)5-6-11/h3-7H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 192.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 80591939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).