(E)-1-ethenoxyprop-1-ene-1,2-diamine

C5H10N2O — CID 163566555

IUPAC(E)-1-ethenoxyprop-1-ene-1,2-diamine
SMILESC=CO/C(N)=C(\C)N
InChIInChI=1S/C5H10N2O/c1-3-8-5(7)4(2)6/h3H,1,6-7H2,2H3/b5-4+
InChIKeyFVSBSLZOARMQQP-SNAWJCMRSA-N
MW114.15 g/mol
LogP0.25
Rot. Bonds2

About (E)-1-ethenoxyprop-1-ene-1,2-diamine

(E)-1-ethenoxyprop-1-ene-1,2-diamine (PubChem CID 163566555) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (E)-1-ethenoxyprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-ethenoxyprop-1-ene-1,2-diamine
PubChem CID163566555
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(E)-1-ethenoxyprop-1-ene-1,2-diamine
SMILESC=CO/C(N)=C(\C)N
InChIInChI=1S/C5H10N2O/c1-3-8-5(7)4(2)6/h3H,1,6-7H2,2H3/b5-4+
InChIKeyFVSBSLZOARMQQP-SNAWJCMRSA-N
XLogP0.25
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.25
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 (E)-1-ethenoxyprop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-ethenoxyprop-1-ene-1,2-diamine (CID 163566555) is (E)-1-ethenoxyprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-ethenoxyprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-ethenoxyprop-1-ene-1,2-diamine is C=CO/C(N)=C(\C)N.
What is the InChIKey of (E)-1-ethenoxyprop-1-ene-1,2-diamine?
The InChIKey is FVSBSLZOARMQQP-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-8-5(7)4(2)6/h3H,1,6-7H2,2H3/b5-4+.
What are the key properties of (E)-1-ethenoxyprop-1-ene-1,2-diamine?
(E)-1-ethenoxyprop-1-ene-1,2-diamine has a molecular weight of 114.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethenoxyprop-1-ene-1,2-diamine is sourced from PubChem (CID 163566555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).