2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile

C11H20N2 — CID 131115462

IUPAC2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile
SMILESCCC(C)C(C)C1(C#N)CCCN1
InChIInChI=1S/C11H20N2/c1-4-9(2)10(3)11(8-12)6-5-7-13-11/h9-10,13H,4-7H2,1-3H3
InChIKeyVSYNCJQUESSUCP-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.31
Rot. Bonds3

About 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile

2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile (PubChem CID 131115462) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile
PubChem CID131115462
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile
SMILESCCC(C)C(C)C1(C#N)CCCN1
InChIInChI=1S/C11H20N2/c1-4-9(2)10(3)11(8-12)6-5-7-13-11/h9-10,13H,4-7H2,1-3H3
InChIKeyVSYNCJQUESSUCP-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylpiperidine-2-carbonitrile
CID 84649702
1-(1-hydroxy-2-methylbutyl)cyclopentane-1-carbonitrile
CID 79137087
1-(1-hydroxy-2-methylbutyl)cyclohexane-1-carbonitrile
CID 79131643
1-(1-hydroxy-2-methylbutyl)cycloheptane-1-carbonitrile
CID 79131876
2-butan-2-yl-2-propan-2-ylpyrrolidine
CID 79444154
1-(3-methylpentan-2-yl)cyclopropane-1-carbaldehyde
CID 131226445
1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
CID 123463743
2-(3-methylbutyl)piperidine-2-carbonitrile
CID 130542472
2-butan-2-yl-2-propylpyrrolidine
CID 79443895
2-(2-ethylbutyl)-2-propan-2-ylpyrrolidine
CID 82922353
2,2,3,3-tetraethylpiperidine
CID 173426898
1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate
CID 103489015

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile?
The IUPAC name of 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile (CID 131115462) is 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile is CCC(C)C(C)C1(C#N)CCCN1.
What is the InChIKey of 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile?
The InChIKey is VSYNCJQUESSUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-9(2)10(3)11(8-12)6-5-7-13-11/h9-10,13H,4-7H2,1-3H3.
What are the key properties of 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile?
2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 131115462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).