N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide

C9H15NO3 — CID 51357474

IUPACN-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1CC(=O)C1(C)C
InChIInChI=1S/C9H15NO3/c1-9(2)6(5-7(9)11)8(12)10(3)13-4/h6H,5H2,1-4H3
InChIKeyMJZYXGFJTMNFIQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds2

About N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide

N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide (PubChem CID 51357474) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide
PubChem CID51357474
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1CC(=O)C1(C)C
InChIInChI=1S/C9H15NO3/c1-9(2)6(5-7(9)11)8(12)10(3)13-4/h6H,5H2,1-4H3
InChIKeyMJZYXGFJTMNFIQ-UHFFFAOYSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
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,2,2-trimethyl-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide (CID 51357474) is N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide is CON(C)C(=O)C1CC(=O)C1(C)C.
What is the InChIKey of N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide?
The InChIKey is MJZYXGFJTMNFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2)6(5-7(9)11)8(12)10(3)13-4/h6H,5H2,1-4H3.
What are the key properties of N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide?
N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2,2-trimethyl-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 51357474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).