N-(1-cyanocyclopentyl)oxane-3-carboxamide

C12H18N2O2 — CID 55218702

IUPACN-(1-cyanocyclopentyl)oxane-3-carboxamide
SMILESN#CC1(NC(=O)C2CCCOC2)CCCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(5-1-2-6-12)14-11(15)10-4-3-7-16-8-10/h10H,1-8H2,(H,14,15)
InChIKeyVZFLXQXLXYYVAS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.37
Rot. Bonds2

About N-(1-cyanocyclopentyl)oxane-3-carboxamide

N-(1-cyanocyclopentyl)oxane-3-carboxamide (PubChem CID 55218702) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)oxane-3-carboxamide
PubChem CID55218702
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-cyanocyclopentyl)oxane-3-carboxamide
SMILESN#CC1(NC(=O)C2CCCOC2)CCCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(5-1-2-6-12)14-11(15)10-4-3-7-16-8-10/h10H,1-8H2,(H,14,15)
InChIKeyVZFLXQXLXYYVAS-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)oxane-3-carboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)oxane-3-carboxamide (CID 55218702) is N-(1-cyanocyclopentyl)oxane-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)oxane-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)oxane-3-carboxamide is N#CC1(NC(=O)C2CCCOC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)oxane-3-carboxamide?
The InChIKey is VZFLXQXLXYYVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9-12(5-1-2-6-12)14-11(15)10-4-3-7-16-8-10/h10H,1-8H2,(H,14,15).
What are the key properties of N-(1-cyanocyclopentyl)oxane-3-carboxamide?
N-(1-cyanocyclopentyl)oxane-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)oxane-3-carboxamide is sourced from PubChem (CID 55218702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).