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

C12H18N2O3 — CID 104708984

IUPAC1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C#N)CCC2)CCOC1
InChIInChI=1S/C12H18N2O3/c1-16-12(5-6-17-9-12)8-14-10(15)11(7-13)3-2-4-11/h2-6,8-9H2,1H3,(H,14,15)
InChIKeyQZNNGZNMOINYAN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.60
Rot. Bonds4

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

1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 104708984) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID104708984
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C#N)CCC2)CCOC1
InChIInChI=1S/C12H18N2O3/c1-16-12(5-6-17-9-12)8-14-10(15)11(7-13)3-2-4-11/h2-6,8-9H2,1H3,(H,14,15)
InChIKeyQZNNGZNMOINYAN-UHFFFAOYSA-N
XLogP0.60
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.60
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]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide (CID 104708984) is 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide is COC1(CNC(=O)C2(C#N)CCC2)CCOC1.
What is the InChIKey of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is QZNNGZNMOINYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-12(5-6-17-9-12)8-14-10(15)11(7-13)3-2-4-11/h2-6,8-9H2,1H3,(H,14,15).
What are the key properties of 1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide?
1-cyano-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.60, 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]cyclobutane-1-carboxamide is sourced from PubChem (CID 104708984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).