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

C7H11NO2 — CID 143547971

IUPAC(Z)-2-methyliminohex-3-enoic acid
SMILESCC/C=C\C(=NC)C(=O)O
InChIInChI=1S/C7H11NO2/c1-3-4-5-6(8-2)7(9)10/h4-5H,3H2,1-2H3,(H,9,10)/b5-4-,8-6?
InChIKeyKIIVZLKXWTWCDK-SPMAYDDASA-N
MW141.17 g/mol
LogP1.10
Rot. Bonds3

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

(Z)-2-methyliminohex-3-enoic acid (PubChem CID 143547971) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (Z)-2-methyliminohex-3-enoic acid.

Molecular Properties

Compound Name(Z)-2-methyliminohex-3-enoic acid
PubChem CID143547971
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(Z)-2-methyliminohex-3-enoic acid
SMILESCC/C=C\C(=NC)C(=O)O
InChIInChI=1S/C7H11NO2/c1-3-4-5-6(8-2)7(9)10/h4-5H,3H2,1-2H3,(H,9,10)/b5-4-,8-6?
InChIKeyKIIVZLKXWTWCDK-SPMAYDDASA-N
XLogP1.10
TPSA49.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity170

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridine-6-carboxylic acid
CID 53850331
2H-pyrrole-5-carboxylic acid
CID 23422230
3H-pyridin-1-ium-6-carboxylic acid
CID 57048802
2-methyl-2H-pyrrole-5-carboxylic acid
CID 59501576
2-Methyliminobut-3-enoic acid
CID 59745525
2-Hydroxy-2,3-dihydropyridine-6-carboxylic acid
CID 68062802
(E,2E)-2-hydroxyiminopent-3-enoic acid
CID 88755648
2-Hydroxyiminopent-3-enoic acid
CID 88755649
2,3-Dimethyl-2,3-dihydropyridine-6-carboxylic acid
CID 89210433
(Z)-2-propan-2-yliminopent-3-enoic acid
CID 89391211
Methyl 2,3-dihydropyridine-6-carboxylate
CID 89605577
(Z)-4-methyl-2-methyliminohex-3-enoic acid
CID 91314693

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyliminohex-3-enoic acid?
The IUPAC name of (Z)-2-methyliminohex-3-enoic acid (CID 143547971) is (Z)-2-methyliminohex-3-enoic acid.
What is the SMILES notation for (Z)-2-methyliminohex-3-enoic acid?
The canonical SMILES for (Z)-2-methyliminohex-3-enoic acid is CC/C=C\C(=NC)C(=O)O.
What is the InChIKey of (Z)-2-methyliminohex-3-enoic acid?
The InChIKey is KIIVZLKXWTWCDK-SPMAYDDASA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-5-6(8-2)7(9)10/h4-5H,3H2,1-2H3,(H,9,10)/b5-4-,8-6?.
What are the key properties of (Z)-2-methyliminohex-3-enoic acid?
(Z)-2-methyliminohex-3-enoic acid has a molecular weight of 141.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyliminohex-3-enoic acid is sourced from PubChem (CID 143547971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).