1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile

C13H20N2O — CID 80591962

IUPAC1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCCC1(CC)CCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C13H20N2O/c1-3-12(4-2)7-8-15(10-12)11(16)13(9-14)5-6-13/h3-8,10H2,1-2H3
InChIKeyZNLAYZDBXPLMMA-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds3

About 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile

1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 80591962) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID80591962
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCCC1(CC)CCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C13H20N2O/c1-3-12(4-2)7-8-15(10-12)11(16)13(9-14)5-6-13/h3-8,10H2,1-2H3
InChIKeyZNLAYZDBXPLMMA-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile (CID 80591962) is 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile is CCC1(CC)CCN(C(=O)C2(C#N)CC2)C1.
What is the InChIKey of 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is ZNLAYZDBXPLMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-12(4-2)7-8-15(10-12)11(16)13(9-14)5-6-13/h3-8,10H2,1-2H3.
What are the key properties of 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 80591962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).