N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide

C8H11NO3 — CID 53404826

IUPACN-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide
SMILESCON(C)C(=O)C1=CC(=O)CC1
InChIInChI=1S/C8H11NO3/c1-9(12-2)8(11)6-3-4-7(10)5-6/h5H,3-4H2,1-2H3
InChIKeyVPTJCWQXPMEEPA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.30
Rot. Bonds2

About N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide

N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide (PubChem CID 53404826) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide
PubChem CID53404826
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide
SMILESCON(C)C(=O)C1=CC(=O)CC1
InChIInChI=1S/C8H11NO3/c1-9(12-2)8(11)6-3-4-7(10)5-6/h5H,3-4H2,1-2H3
InChIKeyVPTJCWQXPMEEPA-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
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-N-methyl-3-oxocyclopentene-1-carboxamide?
The IUPAC name of N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide (CID 53404826) is N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide is CON(C)C(=O)C1=CC(=O)CC1.
What is the InChIKey of N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide?
The InChIKey is VPTJCWQXPMEEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-9(12-2)8(11)6-3-4-7(10)5-6/h5H,3-4H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide?
N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide has a molecular weight of 169.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide is sourced from PubChem (CID 53404826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).