(3-cyanocyclopentyl) 2-methylpropanoate

C10H15NO2 — CID 130891652

IUPAC(3-cyanocyclopentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCC(C#N)C1
InChIInChI=1S/C10H15NO2/c1-7(2)10(12)13-9-4-3-8(5-9)6-11/h7-9H,3-5H2,1-2H3
InChIKeyXOIHGPOCZSDXEW-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.88
Rot. Bonds2

About (3-cyanocyclopentyl) 2-methylpropanoate

(3-cyanocyclopentyl) 2-methylpropanoate (PubChem CID 130891652) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (3-cyanocyclopentyl) 2-methylpropanoate.

Molecular Properties

Compound Name(3-cyanocyclopentyl) 2-methylpropanoate
PubChem CID130891652
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(3-cyanocyclopentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCC(C#N)C1
InChIInChI=1S/C10H15NO2/c1-7(2)10(12)13-9-4-3-8(5-9)6-11/h7-9H,3-5H2,1-2H3
InChIKeyXOIHGPOCZSDXEW-UHFFFAOYSA-N
XLogP1.88
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 2-methylpropanoate
CID 54511576
(3-cyanocyclopentyl) 4-bromobenzoate
CID 71912025
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
(1-methylpyrrolidin-3-yl) 2-methylpropanoate
CID 58333474
(4-cyanocyclohexyl) 4-hydroxycyclohexane-1-carboxylate
CID 90054944
trans-(1R,3R)-3-cyanocyclopentane-1-carboxamide
CID 89421009
(3,3-dimethylcyclobutyl) 2-methylpropanoate
CID 130735356
(3,4-dimethylcyclohexyl) (2S)-2-aminopropanoate
CID 64745122
bis(cyclobutyl 2-methylpropanoate);propan-2-yl 2-methylpropanoate
CID 160656164
(5-aminopyrrolidin-3-yl) 2-methylpropanoate
CID 138733823
(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate
CID 15223
[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate
CID 150017281

Frequently Asked Questions

What is the IUPAC name of (3-cyanocyclopentyl) 2-methylpropanoate?
The IUPAC name of (3-cyanocyclopentyl) 2-methylpropanoate (CID 130891652) is (3-cyanocyclopentyl) 2-methylpropanoate.
What is the SMILES notation for (3-cyanocyclopentyl) 2-methylpropanoate?
The canonical SMILES for (3-cyanocyclopentyl) 2-methylpropanoate is CC(C)C(=O)OC1CCC(C#N)C1.
What is the InChIKey of (3-cyanocyclopentyl) 2-methylpropanoate?
The InChIKey is XOIHGPOCZSDXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)10(12)13-9-4-3-8(5-9)6-11/h7-9H,3-5H2,1-2H3.
What are the key properties of (3-cyanocyclopentyl) 2-methylpropanoate?
(3-cyanocyclopentyl) 2-methylpropanoate has a molecular weight of 181.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanocyclopentyl) 2-methylpropanoate is sourced from PubChem (CID 130891652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).