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

C7H12NO2- — CID 163627927

IUPACN-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine
SMILESC=CCOCC(=C)N(C)[O-]
InChIInChI=1S/C7H12NO2/c1-4-5-10-6-7(2)8(3)9/h4H,1-2,5-6H2,3H3/q-1
InChIKeySGGYOJZQFJPNNE-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.13
Rot. Bonds5

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

N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine (PubChem CID 163627927) has the molecular formula C7H12NO2- and a molecular weight of 142.18 g/mol. Its IUPAC name is N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine
PubChem CID163627927
Molecular FormulaC7H12NO2-
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC NameN-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine
SMILESC=CCOCC(=C)N(C)[O-]
InChIInChI=1S/C7H12NO2/c1-4-5-10-6-7(2)8(3)9/h4H,1-2,5-6H2,3H3/q-1
InChIKeySGGYOJZQFJPNNE-UHFFFAOYSA-N
XLogP1.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

Methylene-methoxymorpholine
CID 129795187
N-methyl-3-prop-2-enoxyprop-1-en-2-amine oxide
CID 163627926
N-methoxy-N-methyl-2-prop-2-enoxyethanamine
CID 131107830

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine?
The IUPAC name of N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine (CID 163627927) is N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine.
What is the SMILES notation for N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine?
The canonical SMILES for N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine is C=CCOCC(=C)N(C)[O-].
What is the InChIKey of N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine?
The InChIKey is SGGYOJZQFJPNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO2/c1-4-5-10-6-7(2)8(3)9/h4H,1-2,5-6H2,3H3/q-1.
What are the key properties of N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine?
N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine has a molecular weight of 142.18 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oxido-3-prop-2-enoxyprop-1-en-2-amine is sourced from PubChem (CID 163627927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).