N-methoxyoxolane-3-carboxamide

C6H11NO3 — CID 18684924

IUPACN-methoxyoxolane-3-carboxamide
SMILESCONC(=O)C1CCOC1
InChIInChI=1S/C6H11NO3/c1-9-7-6(8)5-2-3-10-4-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyKHYJYXDLCMFGKH-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.30
Rot. Bonds2

About N-methoxyoxolane-3-carboxamide

N-methoxyoxolane-3-carboxamide (PubChem CID 18684924) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-methoxyoxolane-3-carboxamide.

Molecular Properties

Compound NameN-methoxyoxolane-3-carboxamide
PubChem CID18684924
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-methoxyoxolane-3-carboxamide
SMILESCONC(=O)C1CCOC1
InChIInChI=1S/C6H11NO3/c1-9-7-6(8)5-2-3-10-4-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyKHYJYXDLCMFGKH-UHFFFAOYSA-N
XLogP-0.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxyoxolane-3-carboxamide?
The IUPAC name of N-methoxyoxolane-3-carboxamide (CID 18684924) is N-methoxyoxolane-3-carboxamide.
What is the SMILES notation for N-methoxyoxolane-3-carboxamide?
The canonical SMILES for N-methoxyoxolane-3-carboxamide is CONC(=O)C1CCOC1.
What is the InChIKey of N-methoxyoxolane-3-carboxamide?
The InChIKey is KHYJYXDLCMFGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-7-6(8)5-2-3-10-4-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of N-methoxyoxolane-3-carboxamide?
N-methoxyoxolane-3-carboxamide has a molecular weight of 145.16 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyoxolane-3-carboxamide is sourced from PubChem (CID 18684924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).