N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide

C13H20N2O2 — CID 114825557

IUPACN-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CC#N)C2CCCC2)CO1
InChIInChI=1S/C13H20N2O2/c1-10-8-11(9-17-10)13(16)15(7-6-14)12-4-2-3-5-12/h10-12H,2-5,7-9H2,1H3
InChIKeyQBGYODITNGYBTB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.71
Rot. Bonds3

About N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide

N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide (PubChem CID 114825557) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide
PubChem CID114825557
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CC#N)C2CCCC2)CO1
InChIInChI=1S/C13H20N2O2/c1-10-8-11(9-17-10)13(16)15(7-6-14)12-4-2-3-5-12/h10-12H,2-5,7-9H2,1H3
InChIKeyQBGYODITNGYBTB-UHFFFAOYSA-N
XLogP1.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-5-methyloxolane-3-carboxamide
CID 114826187
N-cyclopropyl-N-(2-hydroxyethyl)-5-methyloxolane-3-carboxamide
CID 114826170
N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide
CID 82125075
N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 114825528
N,5-dimethyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627633
N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide
CID 114825541
N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide
CID 114825540
N-methoxy-N,5-dimethyloxolane-3-carboxamide
CID 114826107
N-(2-chloroethyl)-5-methyl-N-propyloxolane-3-carboxamide
CID 114823097
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 114826409
N-cyclopentyl-5-methyloxolane-3-carboxamide
CID 114826115
N-(cyanomethyl)-N-cyclohexylprop-2-enamide
CID 102248410

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide (CID 114825557) is N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide is CC1CC(C(=O)N(CC#N)C2CCCC2)CO1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide?
The InChIKey is QBGYODITNGYBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-11(9-17-10)13(16)15(7-6-14)12-4-2-3-5-12/h10-12H,2-5,7-9H2,1H3.
What are the key properties of N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide?
N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114825557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).