1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide

C13H20N2O3 — CID 104708976

IUPAC1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C#N)CCCC2)CCOC1
InChIInChI=1S/C13H20N2O3/c1-17-13(6-7-18-10-13)9-15-11(16)12(8-14)4-2-3-5-12/h2-7,9-10H2,1H3,(H,15,16)
InChIKeyGQKPOWYIUIAGJS-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.99
Rot. Bonds4

About 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide

1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 104708976) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID104708976
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C#N)CCCC2)CCOC1
InChIInChI=1S/C13H20N2O3/c1-17-13(6-7-18-10-13)9-15-11(16)12(8-14)4-2-3-5-12/h2-7,9-10H2,1H3,(H,15,16)
InChIKeyGQKPOWYIUIAGJS-UHFFFAOYSA-N
XLogP0.99
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide (CID 104708976) is 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide is COC1(CNC(=O)C2(C#N)CCCC2)CCOC1.
What is the InChIKey of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is GQKPOWYIUIAGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-13(6-7-18-10-13)9-15-11(16)12(8-14)4-2-3-5-12/h2-7,9-10H2,1H3,(H,15,16).
What are the key properties of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 104708976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).