(Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal

C8H14N2O — CID 155054347

IUPAC(Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal
SMILESCN/N=C\C(=C/C=O)C(C)C
InChIInChI=1S/C8H14N2O/c1-7(2)8(4-5-11)6-10-9-3/h4-7,9H,1-3H3/b8-4+,10-6-
InChIKeyJFDNPSNCCSWTJY-IXVUFTLGSA-N
MW154.21 g/mol
LogP0.97
Rot. Bonds4

About (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal

(Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal (PubChem CID 155054347) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal.

Molecular Properties

Compound Name(Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal
PubChem CID155054347
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal
SMILESCN/N=C\C(=C/C=O)C(C)C
InChIInChI=1S/C8H14N2O/c1-7(2)8(4-5-11)6-10-9-3/h4-7,9H,1-3H3/b8-4+,10-6-
InChIKeyJFDNPSNCCSWTJY-IXVUFTLGSA-N
XLogP0.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.97
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal?
The IUPAC name of (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal (CID 155054347) is (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal.
What is the SMILES notation for (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal?
The canonical SMILES for (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal is CN/N=C\C(=C/C=O)C(C)C.
What is the InChIKey of (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal?
The InChIKey is JFDNPSNCCSWTJY-IXVUFTLGSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)8(4-5-11)6-10-9-3/h4-7,9H,1-3H3/b8-4+,10-6-.
What are the key properties of (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal?
(Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal has a molecular weight of 154.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal is sourced from PubChem (CID 155054347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).