(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine

C8H14N2O — CID 70311844

IUPAC(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine
SMILESC=C(O/C=C\N)[C@@H]1CCCN1
InChIInChI=1S/C8H14N2O/c1-7(11-6-4-9)8-3-2-5-10-8/h4,6,8,10H,1-3,5,9H2/b6-4-/t8-/m0/s1
InChIKeyHYWHQCUYKWTCRF-HORMHSFOSA-N
MW154.21 g/mol
LogP0.70
Rot. Bonds3

About (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine

(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine (PubChem CID 70311844) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine.

Molecular Properties

Compound Name(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine
PubChem CID70311844
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine
SMILESC=C(O/C=C\N)[C@@H]1CCCN1
InChIInChI=1S/C8H14N2O/c1-7(11-6-4-9)8-3-2-5-10-8/h4,6,8,10H,1-3,5,9H2/b6-4-/t8-/m0/s1
InChIKeyHYWHQCUYKWTCRF-HORMHSFOSA-N
XLogP0.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine?
The IUPAC name of (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine (CID 70311844) is (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine.
What is the SMILES notation for (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine?
The canonical SMILES for (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine is C=C(O/C=C\N)[C@@H]1CCCN1.
What is the InChIKey of (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine?
The InChIKey is HYWHQCUYKWTCRF-HORMHSFOSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(11-6-4-9)8-3-2-5-10-8/h4,6,8,10H,1-3,5,9H2/b6-4-/t8-/m0/s1.
What are the key properties of (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine?
(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine has a molecular weight of 154.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine is sourced from PubChem (CID 70311844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).