(1-cyanocyclobutyl) cyclopentanecarboxylate

C11H15NO2 — CID 123468975

IUPAC(1-cyanocyclobutyl) cyclopentanecarboxylate
SMILESN#CC1(OC(=O)C2CCCC2)CCC1
InChIInChI=1S/C11H15NO2/c12-8-11(6-3-7-11)14-10(13)9-4-1-2-5-9/h9H,1-7H2
InChIKeyMSRLUDJEMUPRKN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.17
Rot. Bonds2

About (1-cyanocyclobutyl) cyclopentanecarboxylate

(1-cyanocyclobutyl) cyclopentanecarboxylate (PubChem CID 123468975) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1-cyanocyclobutyl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(1-cyanocyclobutyl) cyclopentanecarboxylate
PubChem CID123468975
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1-cyanocyclobutyl) cyclopentanecarboxylate
SMILESN#CC1(OC(=O)C2CCCC2)CCC1
InChIInChI=1S/C11H15NO2/c12-8-11(6-3-7-11)14-10(13)9-4-1-2-5-9/h9H,1-7H2
InChIKeyMSRLUDJEMUPRKN-UHFFFAOYSA-N
XLogP2.17
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-3-cyclopentyloxycyclohexane-1-carboxylic acid
CID 70211080
1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid
CID 90238575
(1-cyanocyclobutyl) 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 119038616
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717691
1-cyanoethyl cyclopentanecarboxylate
CID 83695105
carbonic acid;bis(1-hydroperoxycyclohexane-1-carbonitrile)
CID 173416775
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
cyclooctanecarboperoxoic acid
CID 90238548
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
(1-formyl-3,4-dimethylcyclohex-3-en-1-yl) cyclohexanecarboxylate
CID 101428496
methyl cyclobutanecarboxylate;hydrate
CID 175300594
(4-cyanopiperidin-1-yl) cyclopentanecarboxylate
CID 142779698

Frequently Asked Questions

What is the IUPAC name of (1-cyanocyclobutyl) cyclopentanecarboxylate?
The IUPAC name of (1-cyanocyclobutyl) cyclopentanecarboxylate (CID 123468975) is (1-cyanocyclobutyl) cyclopentanecarboxylate.
What is the SMILES notation for (1-cyanocyclobutyl) cyclopentanecarboxylate?
The canonical SMILES for (1-cyanocyclobutyl) cyclopentanecarboxylate is N#CC1(OC(=O)C2CCCC2)CCC1.
What is the InChIKey of (1-cyanocyclobutyl) cyclopentanecarboxylate?
The InChIKey is MSRLUDJEMUPRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-8-11(6-3-7-11)14-10(13)9-4-1-2-5-9/h9H,1-7H2.
What are the key properties of (1-cyanocyclobutyl) cyclopentanecarboxylate?
(1-cyanocyclobutyl) cyclopentanecarboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanocyclobutyl) cyclopentanecarboxylate is sourced from PubChem (CID 123468975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).