3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile

C10H18N2 — CID 13464692

IUPAC3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile
SMILESCC(C)(C)C(C#N)N1CCCC1
InChIInChI=1S/C10H18N2/c1-10(2,3)9(8-11)12-6-4-5-7-12/h9H,4-7H2,1-3H3
InChIKeyQNRRZRJZLKEHER-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds1

About 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile

3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile (PubChem CID 13464692) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile.

Molecular Properties

Compound Name3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile
PubChem CID13464692
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile
SMILESCC(C)(C)C(C#N)N1CCCC1
InChIInChI=1S/C10H18N2/c1-10(2,3)9(8-11)12-6-4-5-7-12/h9H,4-7H2,1-3H3
InChIKeyQNRRZRJZLKEHER-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile?
The IUPAC name of 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile (CID 13464692) is 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile.
What is the SMILES notation for 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile?
The canonical SMILES for 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile is CC(C)(C)C(C#N)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile?
The InChIKey is QNRRZRJZLKEHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)9(8-11)12-6-4-5-7-12/h9H,4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile?
3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-pyrrolidin-1-ylbutanenitrile is sourced from PubChem (CID 13464692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).