N-prop-2-enoxyethenamine

C5H9NO — CID 56611950

IUPACN-prop-2-enoxyethenamine
SMILESC=CCONC=C
InChIInChI=1S/C5H9NO/c1-3-5-7-6-4-2/h3-4,6H,1-2,5H2
InChIKeyAFPUPHMEIIMJJZ-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.84
Rot. Bonds4

About N-prop-2-enoxyethenamine

N-prop-2-enoxyethenamine (PubChem CID 56611950) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-prop-2-enoxyethenamine.

Molecular Properties

Compound NameN-prop-2-enoxyethenamine
PubChem CID56611950
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-prop-2-enoxyethenamine
SMILESC=CCONC=C
InChIInChI=1S/C5H9NO/c1-3-5-7-6-4-2/h3-4,6H,1-2,5H2
InChIKeyAFPUPHMEIIMJJZ-UHFFFAOYSA-N
XLogP0.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.84
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-prop-2-enoxyethenamine?
The IUPAC name of N-prop-2-enoxyethenamine (CID 56611950) is N-prop-2-enoxyethenamine.
What is the SMILES notation for N-prop-2-enoxyethenamine?
The canonical SMILES for N-prop-2-enoxyethenamine is C=CCONC=C.
What is the InChIKey of N-prop-2-enoxyethenamine?
The InChIKey is AFPUPHMEIIMJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-5-7-6-4-2/h3-4,6H,1-2,5H2.
What are the key properties of N-prop-2-enoxyethenamine?
N-prop-2-enoxyethenamine has a molecular weight of 99.13 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxyethenamine is sourced from PubChem (CID 56611950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).