N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide

C7H11NO2 — CID 164676135

IUPACN-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESCON(C)C(=O)C12CC1C2
InChIInChI=1S/C7H11NO2/c1-8(10-2)6(9)7-3-5(7)4-7/h5H,3-4H2,1-2H3
InChIKeyBZVKUKNXIRSUBW-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.42
Rot. Bonds2

About N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide

N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide (PubChem CID 164676135) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide
PubChem CID164676135
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESCON(C)C(=O)C12CC1C2
InChIInChI=1S/C7H11NO2/c1-8(10-2)6(9)7-3-5(7)4-7/h5H,3-4H2,1-2H3
InChIKeyBZVKUKNXIRSUBW-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylbicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide (CID 164676135) is N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide is CON(C)C(=O)C12CC1C2.
What is the InChIKey of N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is BZVKUKNXIRSUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8(10-2)6(9)7-3-5(7)4-7/h5H,3-4H2,1-2H3.
What are the key properties of N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide?
N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 141.17 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylbicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 164676135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).