N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide

C12H18N2O2 — CID 114825541

IUPACN-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC2CCCC2C#N)CO1
InChIInChI=1S/C12H18N2O2/c1-8-5-10(7-16-8)12(15)14-11-4-2-3-9(11)6-13/h8-11H,2-5,7H2,1H3,(H,14,15)
InChIKeyGBCASSVMYXGAIS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds2

About N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide

N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide (PubChem CID 114825541) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide
PubChem CID114825541
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC2CCCC2C#N)CO1
InChIInChI=1S/C12H18N2O2/c1-8-5-10(7-16-8)12(15)14-11-4-2-3-9(11)6-13/h8-11H,2-5,7H2,1H3,(H,14,15)
InChIKeyGBCASSVMYXGAIS-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide (CID 114825541) is N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC2CCCC2C#N)CO1.
What is the InChIKey of N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide?
The InChIKey is GBCASSVMYXGAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-10(7-16-8)12(15)14-11-4-2-3-9(11)6-13/h8-11H,2-5,7H2,1H3,(H,14,15).
What are the key properties of N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide?
N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114825541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).