2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile

C11H18N2 — CID 65050377

IUPAC2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile
SMILESCC1CCCC1(C#N)N1CCCC1
InChIInChI=1S/C11H18N2/c1-10-5-4-6-11(10,9-12)13-7-2-3-8-13/h10H,2-8H2,1H3
InChIKeyRRSTWNACPTXSMU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.16
Rot. Bonds1

About 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile

2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile (PubChem CID 65050377) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile
PubChem CID65050377
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile
SMILESCC1CCCC1(C#N)N1CCCC1
InChIInChI=1S/C11H18N2/c1-10-5-4-6-11(10,9-12)13-7-2-3-8-13/h10H,2-8H2,1H3
InChIKeyRRSTWNACPTXSMU-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The IUPAC name of 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile (CID 65050377) is 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile is CC1CCCC1(C#N)N1CCCC1.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The InChIKey is RRSTWNACPTXSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-5-4-6-11(10,9-12)13-7-2-3-8-13/h10H,2-8H2,1H3.
What are the key properties of 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65050377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).