1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide

C11H19NO2 — CID 127417458

IUPAC1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide
SMILESCC1(C(=O)NC2CCOCC2)CCC1
InChIInChI=1S/C11H19NO2/c1-11(5-2-6-11)10(13)12-9-3-7-14-8-4-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyCHTJKEPIXSJYGY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds2

About 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide

1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide (PubChem CID 127417458) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide
PubChem CID127417458
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide
SMILESCC1(C(=O)NC2CCOCC2)CCC1
InChIInChI=1S/C11H19NO2/c1-11(5-2-6-11)10(13)12-9-3-7-14-8-4-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyCHTJKEPIXSJYGY-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide (CID 127417458) is 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide is CC1(C(=O)NC2CCOCC2)CCC1.
What is the InChIKey of 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide?
The InChIKey is CHTJKEPIXSJYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(5-2-6-11)10(13)12-9-3-7-14-8-4-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide?
1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 127417458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).