2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile

C11H19N — CID 58477023

IUPAC2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile
SMILESCC1(C)CC[C@@H](CC#N)C1(C)C
InChIInChI=1S/C11H19N/c1-10(2)7-5-9(6-8-12)11(10,3)4/h9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyQXTMWIGOWGSPIA-VIFPVBQESA-N
MW165.28 g/mol
LogP3.36
Rot. Bonds1

About 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile

2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile (PubChem CID 58477023) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile
PubChem CID58477023
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile
SMILESCC1(C)CC[C@@H](CC#N)C1(C)C
InChIInChI=1S/C11H19N/c1-10(2)7-5-9(6-8-12)11(10,3)4/h9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyQXTMWIGOWGSPIA-VIFPVBQESA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile?
The IUPAC name of 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile (CID 58477023) is 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile.
What is the SMILES notation for 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile?
The canonical SMILES for 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile is CC1(C)CC[C@@H](CC#N)C1(C)C.
What is the InChIKey of 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile?
The InChIKey is QXTMWIGOWGSPIA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)7-5-9(6-8-12)11(10,3)4/h9H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile?
2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile has a molecular weight of 165.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile is sourced from PubChem (CID 58477023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).