1-cyclopropylidene-N-methoxymethanamine

C5H9NO — CID 91111868

IUPAC1-cyclopropylidene-N-methoxymethanamine
SMILESCONC=C1CC1
InChIInChI=1S/C5H9NO/c1-7-6-4-5-2-3-5/h4,6H,2-3H2,1H3
InChIKeyAFSHHIDIYIXTKA-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.82
Rot. Bonds2

About 1-cyclopropylidene-N-methoxymethanamine

1-cyclopropylidene-N-methoxymethanamine (PubChem CID 91111868) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-cyclopropylidene-N-methoxymethanamine.

Molecular Properties

Compound Name1-cyclopropylidene-N-methoxymethanamine
PubChem CID91111868
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-cyclopropylidene-N-methoxymethanamine
SMILESCONC=C1CC1
InChIInChI=1S/C5H9NO/c1-7-6-4-5-2-3-5/h4,6H,2-3H2,1H3
InChIKeyAFSHHIDIYIXTKA-UHFFFAOYSA-N
XLogP0.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
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 1-cyclopropylidene-N-methoxymethanamine?
The IUPAC name of 1-cyclopropylidene-N-methoxymethanamine (CID 91111868) is 1-cyclopropylidene-N-methoxymethanamine.
What is the SMILES notation for 1-cyclopropylidene-N-methoxymethanamine?
The canonical SMILES for 1-cyclopropylidene-N-methoxymethanamine is CONC=C1CC1.
What is the InChIKey of 1-cyclopropylidene-N-methoxymethanamine?
The InChIKey is AFSHHIDIYIXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-7-6-4-5-2-3-5/h4,6H,2-3H2,1H3.
What are the key properties of 1-cyclopropylidene-N-methoxymethanamine?
1-cyclopropylidene-N-methoxymethanamine has a molecular weight of 99.13 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylidene-N-methoxymethanamine is sourced from PubChem (CID 91111868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).