(Z)-4-iminopent-2-enal;methanamine

C6H12N2O — CID 143260719

IUPAC(Z)-4-iminopent-2-enal;methanamine
SMILESCN.[H]/N=C(C)/C=C\C=O
InChIInChI=1S/C5H7NO.CH5N/c1-5(6)3-2-4-7;1-2/h2-4,6H,1H3;2H2,1H3/b3-2-,6-5+;
InChIKeyCICCAPSUXOQIPA-DCFSRTAJSA-N
MW128.17 g/mol
LogP0.36
Rot. Bonds2

About (Z)-4-iminopent-2-enal;methanamine

(Z)-4-iminopent-2-enal;methanamine (PubChem CID 143260719) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-4-iminopent-2-enal;methanamine.

Molecular Properties

Compound Name(Z)-4-iminopent-2-enal;methanamine
PubChem CID143260719
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(Z)-4-iminopent-2-enal;methanamine
SMILESCN.[H]/N=C(C)/C=C\C=O
InChIInChI=1S/C5H7NO.CH5N/c1-5(6)3-2-4-7;1-2/h2-4,6H,1H3;2H2,1H3/b3-2-,6-5+;
InChIKeyCICCAPSUXOQIPA-DCFSRTAJSA-N
XLogP0.36
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.36
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-iminopent-2-enal;methanamine?
The IUPAC name of (Z)-4-iminopent-2-enal;methanamine (CID 143260719) is (Z)-4-iminopent-2-enal;methanamine.
What is the SMILES notation for (Z)-4-iminopent-2-enal;methanamine?
The canonical SMILES for (Z)-4-iminopent-2-enal;methanamine is CN.[H]/N=C(C)/C=C\C=O.
What is the InChIKey of (Z)-4-iminopent-2-enal;methanamine?
The InChIKey is CICCAPSUXOQIPA-DCFSRTAJSA-N. The full InChI is InChI=1S/C5H7NO.CH5N/c1-5(6)3-2-4-7;1-2/h2-4,6H,1H3;2H2,1H3/b3-2-,6-5+;.
What are the key properties of (Z)-4-iminopent-2-enal;methanamine?
(Z)-4-iminopent-2-enal;methanamine has a molecular weight of 128.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-iminopent-2-enal;methanamine is sourced from PubChem (CID 143260719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).