(Z)-4-methyl-2-methyliminohex-3-enoic acid

C8H13NO2 — CID 91314693

IUPAC(Z)-4-methyl-2-methyliminohex-3-enoic acid
SMILESCC/C(C)=C\C(=N\C)C(=O)O
InChIInChI=1S/C8H13NO2/c1-4-6(2)5-7(9-3)8(10)11/h5H,4H2,1-3H3,(H,10,11)/b6-5-,9-7-
InChIKeyOLGFCWGGYFETNR-LZWBOMALSA-N
MW155.20 g/mol
LogP1.50
Rot. Bonds3

About (Z)-4-methyl-2-methyliminohex-3-enoic acid

(Z)-4-methyl-2-methyliminohex-3-enoic acid (PubChem CID 91314693) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (Z)-4-methyl-2-methyliminohex-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-methyl-2-methyliminohex-3-enoic acid
PubChem CID91314693
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(Z)-4-methyl-2-methyliminohex-3-enoic acid
SMILESCC/C(C)=C\C(=N\C)C(=O)O
InChIInChI=1S/C8H13NO2/c1-4-6(2)5-7(9-3)8(10)11/h5H,4H2,1-3H3,(H,10,11)/b6-5-,9-7-
InChIKeyOLGFCWGGYFETNR-LZWBOMALSA-N
XLogP1.50
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-methyl-2-methyliminohex-3-enoic acid 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-2-methyliminohex-3-enoic acid?
The IUPAC name of (Z)-4-methyl-2-methyliminohex-3-enoic acid (CID 91314693) is (Z)-4-methyl-2-methyliminohex-3-enoic acid.
What is the SMILES notation for (Z)-4-methyl-2-methyliminohex-3-enoic acid?
The canonical SMILES for (Z)-4-methyl-2-methyliminohex-3-enoic acid is CC/C(C)=C\C(=N\C)C(=O)O.
What is the InChIKey of (Z)-4-methyl-2-methyliminohex-3-enoic acid?
The InChIKey is OLGFCWGGYFETNR-LZWBOMALSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-6(2)5-7(9-3)8(10)11/h5H,4H2,1-3H3,(H,10,11)/b6-5-,9-7-.
What are the key properties of (Z)-4-methyl-2-methyliminohex-3-enoic acid?
(Z)-4-methyl-2-methyliminohex-3-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-methyliminohex-3-enoic acid is sourced from PubChem (CID 91314693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).