3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

C12H18N2O — CID 80501516

IUPAC3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CCN(C(=O)C2(C#N)CC(C)C2)C1
InChIInChI=1S/C12H18N2O/c1-9-3-4-14(7-9)11(15)12(8-13)5-10(2)6-12/h9-10H,3-7H2,1-2H3
InChIKeyQGBXEOSKAHWDOX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.79
Rot. Bonds1

About 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 80501516) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID80501516
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CCN(C(=O)C2(C#N)CC(C)C2)C1
InChIInChI=1S/C12H18N2O/c1-9-3-4-14(7-9)11(15)12(8-13)5-10(2)6-12/h9-10H,3-7H2,1-2H3
InChIKeyQGBXEOSKAHWDOX-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (CID 80501516) is 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is CC1CCN(C(=O)C2(C#N)CC(C)C2)C1.
What is the InChIKey of 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is QGBXEOSKAHWDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-3-4-14(7-9)11(15)12(8-13)5-10(2)6-12/h9-10H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 206.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 80501516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).