1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile

C13H20N2O — CID 80501388

IUPAC1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CC(C)C(C)C2)C1
InChIInChI=1S/C13H20N2O/c1-9-4-13(5-9,8-14)12(16)15-6-10(2)11(3)7-15/h9-11H,4-7H2,1-3H3
InChIKeyULLSEESMNPJJAQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds1

About 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile

1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile (PubChem CID 80501388) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
PubChem CID80501388
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CC(C)C(C)C2)C1
InChIInChI=1S/C13H20N2O/c1-9-4-13(5-9,8-14)12(16)15-6-10(2)11(3)7-15/h9-11H,4-7H2,1-3H3
InChIKeyULLSEESMNPJJAQ-UHFFFAOYSA-N
XLogP2.04
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile (CID 80501388) is 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CC(C)C(C)C2)C1.
What is the InChIKey of 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
The InChIKey is ULLSEESMNPJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-13(5-9,8-14)12(16)15-6-10(2)11(3)7-15/h9-11H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpyrrolidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 80501388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).