2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile

C11H17NO2 — CID 130587182

IUPAC2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile
SMILESCOC1CCCC1C(C)(C#N)C(C)=O
InChIInChI=1S/C11H17NO2/c1-8(13)11(2,7-12)9-5-4-6-10(9)14-3/h9-10H,4-6H2,1-3H3
InChIKeyLMAHXQORCPZANZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.92
Rot. Bonds3

About 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile

2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile (PubChem CID 130587182) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile.

Molecular Properties

Compound Name2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile
PubChem CID130587182
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile
SMILESCOC1CCCC1C(C)(C#N)C(C)=O
InChIInChI=1S/C11H17NO2/c1-8(13)11(2,7-12)9-5-4-6-10(9)14-3/h9-10H,4-6H2,1-3H3
InChIKeyLMAHXQORCPZANZ-UHFFFAOYSA-N
XLogP1.92
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-chloro-2-methylpropan-2-yl)-2-methoxycyclopentane
CID 130587203
[(1R,5R)-5-(2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 20593567
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane
CID 149361841
ethane;2-methoxycyclopentan-1-ol
CID 177178786
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride
CID 158258914
ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate
CID 106874759
cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
CID 14711766
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
[(1S,2S)-2-methoxycyclopentyl] 2-cyanobenzoate
CID 97309410
(2S)-2-methoxycyclohexan-1-ol
CID 11105391

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile?
The IUPAC name of 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile (CID 130587182) is 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile.
What is the SMILES notation for 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile?
The canonical SMILES for 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile is COC1CCCC1C(C)(C#N)C(C)=O.
What is the InChIKey of 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile?
The InChIKey is LMAHXQORCPZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(13)11(2,7-12)9-5-4-6-10(9)14-3/h9-10H,4-6H2,1-3H3.
What are the key properties of 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile?
2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile has a molecular weight of 195.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycyclopentyl)-2-methyl-3-oxobutanenitrile is sourced from PubChem (CID 130587182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).