N-methoxy-2,4,5-trimethyloxolane-3-carboxamide

C9H17NO3 — CID 65155452

IUPACN-methoxy-2,4,5-trimethyloxolane-3-carboxamide
SMILESCONC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C9H17NO3/c1-5-6(2)13-7(3)8(5)9(11)10-12-4/h5-8H,1-4H3,(H,10,11)
InChIKeyLHZPFGWCMNIQQE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.72
Rot. Bonds2

About N-methoxy-2,4,5-trimethyloxolane-3-carboxamide

N-methoxy-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65155452) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-methoxy-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65155452
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-methoxy-2,4,5-trimethyloxolane-3-carboxamide
SMILESCONC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C9H17NO3/c1-5-6(2)13-7(3)8(5)9(11)10-12-4/h5-8H,1-4H3,(H,10,11)
InChIKeyLHZPFGWCMNIQQE-UHFFFAOYSA-N
XLogP0.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.72
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-methoxy-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-methoxy-2,4,5-trimethyloxolane-3-carboxamide (CID 65155452) is N-methoxy-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-methoxy-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-methoxy-2,4,5-trimethyloxolane-3-carboxamide is CONC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-methoxy-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is LHZPFGWCMNIQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-6(2)13-7(3)8(5)9(11)10-12-4/h5-8H,1-4H3,(H,10,11).
What are the key properties of N-methoxy-2,4,5-trimethyloxolane-3-carboxamide?
N-methoxy-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65155452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).