(2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal

C7H10N2O — CID 126553586

IUPAC(2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal
SMILESC=C/C(C)=N\N=C(/C)C=O
InChIInChI=1S/C7H10N2O/c1-4-6(2)8-9-7(3)5-10/h4-5H,1H2,2-3H3/b8-6-,9-7+
InChIKeyAKKPNKFMYONUME-MKKAVFGOSA-N
MW138.17 g/mol
LogP1.21
Rot. Bonds3

About (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal

(2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal (PubChem CID 126553586) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal
PubChem CID126553586
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal
SMILESC=C/C(C)=N\N=C(/C)C=O
InChIInChI=1S/C7H10N2O/c1-4-6(2)8-9-7(3)5-10/h4-5H,1H2,2-3H3/b8-6-,9-7+
InChIKeyAKKPNKFMYONUME-MKKAVFGOSA-N
XLogP1.21
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal?
The IUPAC name of (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal (CID 126553586) is (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal.
What is the SMILES notation for (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal?
The canonical SMILES for (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal is C=C/C(C)=N\N=C(/C)C=O.
What is the InChIKey of (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal?
The InChIKey is AKKPNKFMYONUME-MKKAVFGOSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-6(2)8-9-7(3)5-10/h4-5H,1H2,2-3H3/b8-6-,9-7+.
What are the key properties of (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal?
(2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal has a molecular weight of 138.17 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-3-en-2-ylidenehydrazinylidene]propanal is sourced from PubChem (CID 126553586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).