2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile

C13H23NO — CID 106664445

IUPAC2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile
SMILESCCCC(C#N)C1(O)CC(C)(C)CC1C
InChIInChI=1S/C13H23NO/c1-5-6-11(8-14)13(15)9-12(3,4)7-10(13)2/h10-11,15H,5-7,9H2,1-4H3
InChIKeyYOLOPWTWRKUQGJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.11
Rot. Bonds3

About 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile

2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile (PubChem CID 106664445) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile.

Molecular Properties

Compound Name2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile
PubChem CID106664445
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile
SMILESCCCC(C#N)C1(O)CC(C)(C)CC1C
InChIInChI=1S/C13H23NO/c1-5-6-11(8-14)13(15)9-12(3,4)7-10(13)2/h10-11,15H,5-7,9H2,1-4H3
InChIKeyYOLOPWTWRKUQGJ-UHFFFAOYSA-N
XLogP3.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile
CID 114502219
2-(4-hydroxy-2-methyloxan-4-yl)pentanenitrile
CID 79413009
2-(1-hydroxy-2-methoxycyclohexyl)pentanenitrile
CID 106874794
2-(1-adamantyl)pentanenitrile
CID 4183520
2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile
CID 79412311
2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol
CID 81313623
2-(4-hydroxy-2-propan-2-yloxan-4-yl)pentanenitrile
CID 79413123
2-(1-hydroxy-3,5-dimethylcyclohexyl)butanenitrile
CID 79131748
trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol
CID 131230361
2-(3-hydroxy-1-methylpyrrolidin-3-yl)pentanenitrile
CID 79412426
1,3,3-trimethyl-5-pentan-2-ylcyclohexane-1-carbonitrile
CID 165174528
2-methyl-1-pentan-3-ylcyclopropan-1-ol
CID 79332194

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile?
The IUPAC name of 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile (CID 106664445) is 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile.
What is the SMILES notation for 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile?
The canonical SMILES for 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile is CCCC(C#N)C1(O)CC(C)(C)CC1C.
What is the InChIKey of 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile?
The InChIKey is YOLOPWTWRKUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-11(8-14)13(15)9-12(3,4)7-10(13)2/h10-11,15H,5-7,9H2,1-4H3.
What are the key properties of 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile?
2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile has a molecular weight of 209.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile is sourced from PubChem (CID 106664445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).