N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide

C7H13NO2 — CID 163627926

IUPACN-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide
SMILESC=CCOCC(=C)[NH+](C)[O-]
InChIInChI=1S/C7H13NO2/c1-4-5-10-6-7(2)8(3)9/h4,8H,1-2,5-6H2,3H3
InChIKeyHTPJUDBCFVHWFT-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.28
Rot. Bonds5

About N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide

N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide (PubChem CID 163627926) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide.

Molecular Properties

Compound NameN-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide
PubChem CID163627926
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide
SMILESC=CCOCC(=C)[NH+](C)[O-]
InChIInChI=1S/C7H13NO2/c1-4-5-10-6-7(2)8(3)9/h4,8H,1-2,5-6H2,3H3
InChIKeyHTPJUDBCFVHWFT-UHFFFAOYSA-N
XLogP-0.28
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide?
The IUPAC name of N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide (CID 163627926) is N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide.
What is the SMILES notation for N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide?
The canonical SMILES for N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide is C=CCOCC(=C)[NH+](C)[O-].
What is the InChIKey of N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide?
The InChIKey is HTPJUDBCFVHWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-10-6-7(2)8(3)9/h4,8H,1-2,5-6H2,3H3.
What are the key properties of N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide?
N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide has a molecular weight of 143.19 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide is sourced from PubChem (CID 163627926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).