2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile

C10H17N — CID 45098299

IUPAC2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile
SMILESC[C@@H]1CC[C@H](CC#N)C1(C)C
InChIInChI=1S/C10H17N/c1-8-4-5-9(6-7-11)10(8,2)3/h8-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyAXRYRAJOZGKFNZ-RKDXNWHRSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds1

About 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile

2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile (PubChem CID 45098299) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile
PubChem CID45098299
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile
SMILESC[C@@H]1CC[C@H](CC#N)C1(C)C
InChIInChI=1S/C10H17N/c1-8-4-5-9(6-7-11)10(8,2)3/h8-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyAXRYRAJOZGKFNZ-RKDXNWHRSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile?
The IUPAC name of 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile (CID 45098299) is 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile.
What is the SMILES notation for 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile?
The canonical SMILES for 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile is C[C@@H]1CC[C@H](CC#N)C1(C)C.
What is the InChIKey of 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile?
The InChIKey is AXRYRAJOZGKFNZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N/c1-8-4-5-9(6-7-11)10(8,2)3/h8-9H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile?
2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile has a molecular weight of 151.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile is sourced from PubChem (CID 45098299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).