(Z)-2-[(E)-prop-1-enoxy]ethenamine

C5H9NO — CID 143338938

IUPAC(Z)-2-[(E)-prop-1-enoxy]ethenamine
SMILESC/C=C/O/C=C\N
InChIInChI=1S/C5H9NO/c1-2-4-7-5-3-6/h2-5H,6H2,1H3/b4-2+,5-3-
InChIKeyHXCZMVFCSYIWBQ-HZDAAVBUSA-N
MW99.13 g/mol
LogP0.97
Rot. Bonds2

About (Z)-2-[(E)-prop-1-enoxy]ethenamine

(Z)-2-[(E)-prop-1-enoxy]ethenamine (PubChem CID 143338938) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (Z)-2-[(E)-prop-1-enoxy]ethenamine.

Molecular Properties

Compound Name(Z)-2-[(E)-prop-1-enoxy]ethenamine
PubChem CID143338938
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(Z)-2-[(E)-prop-1-enoxy]ethenamine
SMILESC/C=C/O/C=C\N
InChIInChI=1S/C5H9NO/c1-2-4-7-5-3-6/h2-5H,6H2,1H3/b4-2+,5-3-
InChIKeyHXCZMVFCSYIWBQ-HZDAAVBUSA-N
XLogP0.97
TPSA35.25 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(E)-prop-1-enoxy]ethenamine?
The IUPAC name of (Z)-2-[(E)-prop-1-enoxy]ethenamine (CID 143338938) is (Z)-2-[(E)-prop-1-enoxy]ethenamine.
What is the SMILES notation for (Z)-2-[(E)-prop-1-enoxy]ethenamine?
The canonical SMILES for (Z)-2-[(E)-prop-1-enoxy]ethenamine is C/C=C/O/C=C\N.
What is the InChIKey of (Z)-2-[(E)-prop-1-enoxy]ethenamine?
The InChIKey is HXCZMVFCSYIWBQ-HZDAAVBUSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-4-7-5-3-6/h2-5H,6H2,1H3/b4-2+,5-3-.
What are the key properties of (Z)-2-[(E)-prop-1-enoxy]ethenamine?
(Z)-2-[(E)-prop-1-enoxy]ethenamine has a molecular weight of 99.13 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(E)-prop-1-enoxy]ethenamine is sourced from PubChem (CID 143338938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).