1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

C13H20N2O — CID 83227553

IUPAC1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCCC1CCC(C)N1C(=O)C1(C#N)CCC1
InChIInChI=1S/C13H20N2O/c1-3-11-6-5-10(2)15(11)12(16)13(9-14)7-4-8-13/h10-11H,3-8H2,1-2H3
InChIKeyTWVHCTFLSYUNRY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.47
Rot. Bonds2

About 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 83227553) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID83227553
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCCC1CCC(C)N1C(=O)C1(C#N)CCC1
InChIInChI=1S/C13H20N2O/c1-3-11-6-5-10(2)15(11)12(16)13(9-14)7-4-8-13/h10-11H,3-8H2,1-2H3
InChIKeyTWVHCTFLSYUNRY-UHFFFAOYSA-N
XLogP2.47
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (CID 83227553) is 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is CCC1CCC(C)N1C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is TWVHCTFLSYUNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-11-6-5-10(2)15(11)12(16)13(9-14)7-4-8-13/h10-11H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 83227553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).