(Z)-2-amino-3-(ethylideneamino)prop-2-enal

C5H8N2O — CID 130413954

IUPAC(Z)-2-amino-3-(ethylideneamino)prop-2-enal
SMILESC/C=N/C=C(\N)C=O
InChIInChI=1S/C5H8N2O/c1-2-7-3-5(6)4-8/h2-4H,6H2,1H3/b5-3-,7-2+
InChIKeyISELVVCIIZOFEH-HLJKCGKSSA-N
MW112.13 g/mol
LogP0.08
Rot. Bonds2

About (Z)-2-amino-3-(ethylideneamino)prop-2-enal

(Z)-2-amino-3-(ethylideneamino)prop-2-enal (PubChem CID 130413954) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (Z)-2-amino-3-(ethylideneamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-amino-3-(ethylideneamino)prop-2-enal
PubChem CID130413954
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(Z)-2-amino-3-(ethylideneamino)prop-2-enal
SMILESC/C=N/C=C(\N)C=O
InChIInChI=1S/C5H8N2O/c1-2-7-3-5(6)4-8/h2-4H,6H2,1H3/b5-3-,7-2+
InChIKeyISELVVCIIZOFEH-HLJKCGKSSA-N
XLogP0.08
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(ethylideneamino)prop-2-enal?
The IUPAC name of (Z)-2-amino-3-(ethylideneamino)prop-2-enal (CID 130413954) is (Z)-2-amino-3-(ethylideneamino)prop-2-enal.
What is the SMILES notation for (Z)-2-amino-3-(ethylideneamino)prop-2-enal?
The canonical SMILES for (Z)-2-amino-3-(ethylideneamino)prop-2-enal is C/C=N/C=C(\N)C=O.
What is the InChIKey of (Z)-2-amino-3-(ethylideneamino)prop-2-enal?
The InChIKey is ISELVVCIIZOFEH-HLJKCGKSSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-7-3-5(6)4-8/h2-4H,6H2,1H3/b5-3-,7-2+.
What are the key properties of (Z)-2-amino-3-(ethylideneamino)prop-2-enal?
(Z)-2-amino-3-(ethylideneamino)prop-2-enal has a molecular weight of 112.13 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(ethylideneamino)prop-2-enal is sourced from PubChem (CID 130413954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).