(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal

C12H18N2O — CID 142046945

IUPAC(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal
SMILESC/C=C\C=C\C(=N\N)C(CC=O)=C(C)C
InChIInChI=1S/C12H18N2O/c1-4-5-6-7-12(14-13)11(8-9-15)10(2)3/h4-7,9H,8,13H2,1-3H3/b5-4-,7-6+,14-12-
InChIKeyAYPGCZYIZMYNJO-SWNAKAFASA-N
MW206.29 g/mol
LogP2.36
Rot. Bonds5

About (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal

(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal (PubChem CID 142046945) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal.

Molecular Properties

Compound Name(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal
PubChem CID142046945
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal
SMILESC/C=C\C=C\C(=N\N)C(CC=O)=C(C)C
InChIInChI=1S/C12H18N2O/c1-4-5-6-7-12(14-13)11(8-9-15)10(2)3/h4-7,9H,8,13H2,1-3H3/b5-4-,7-6+,14-12-
InChIKeyAYPGCZYIZMYNJO-SWNAKAFASA-N
XLogP2.36
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal;molecular hydrogen;propane;prop-1-en-2-ol
CID 142046944
ethane;(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal
CID 144947771
6-Hydrazinylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 173451876
2-(3,4-Diiminocyclohexa-1,5-dien-1-yl)acetaldehyde
CID 143410299
(3E,5E,8Z)-6-ethenyl-7-imino-3-methyldeca-3,5,8-trienal
CID 144947772

Frequently Asked Questions

What is the IUPAC name of (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal?
The IUPAC name of (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal (CID 142046945) is (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal.
What is the SMILES notation for (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal?
The canonical SMILES for (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal is C/C=C\C=C\C(=N\N)C(CC=O)=C(C)C.
What is the InChIKey of (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal?
The InChIKey is AYPGCZYIZMYNJO-SWNAKAFASA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-5-6-7-12(14-13)11(8-9-15)10(2)3/h4-7,9H,8,13H2,1-3H3/b5-4-,7-6+,14-12-.
What are the key properties of (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal?
(4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal has a molecular weight of 206.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E,7Z)-4-hydrazinylidene-3-propan-2-ylidenenona-5,7-dienal is sourced from PubChem (CID 142046945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).