(Z)-4-amino-2-iminopent-3-enal

C5H8N2O — CID 143026998

IUPAC(Z)-4-amino-2-iminopent-3-enal
SMILES[H]/N=C(C=O)/C=C(/C)N
InChIInChI=1S/C5H8N2O/c1-4(6)2-5(7)3-8/h2-3,7H,6H2,1H3/b4-2-,7-5-
InChIKeyKDILBPMWPKQSID-ILNZVKDWSA-N
MW112.13 g/mol
LogP0.07
Rot. Bonds2

About (Z)-4-amino-2-iminopent-3-enal

(Z)-4-amino-2-iminopent-3-enal (PubChem CID 143026998) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (Z)-4-amino-2-iminopent-3-enal.

Molecular Properties

Compound Name(Z)-4-amino-2-iminopent-3-enal
PubChem CID143026998
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(Z)-4-amino-2-iminopent-3-enal
SMILES[H]/N=C(C=O)/C=C(/C)N
InChIInChI=1S/C5H8N2O/c1-4(6)2-5(7)3-8/h2-3,7H,6H2,1H3/b4-2-,7-5-
InChIKeyKDILBPMWPKQSID-ILNZVKDWSA-N
XLogP0.07
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-iminopent-3-enal?
The IUPAC name of (Z)-4-amino-2-iminopent-3-enal (CID 143026998) is (Z)-4-amino-2-iminopent-3-enal.
What is the SMILES notation for (Z)-4-amino-2-iminopent-3-enal?
The canonical SMILES for (Z)-4-amino-2-iminopent-3-enal is [H]/N=C(C=O)/C=C(/C)N.
What is the InChIKey of (Z)-4-amino-2-iminopent-3-enal?
The InChIKey is KDILBPMWPKQSID-ILNZVKDWSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4(6)2-5(7)3-8/h2-3,7H,6H2,1H3/b4-2-,7-5-.
What are the key properties of (Z)-4-amino-2-iminopent-3-enal?
(Z)-4-amino-2-iminopent-3-enal has a molecular weight of 112.13 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-iminopent-3-enal is sourced from PubChem (CID 143026998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).