(Z)-2-methyliminohex-3-enal

C7H11NO — CID 143097523

IUPAC(Z)-2-methyliminohex-3-enal
SMILESCC/C=C\C(C=O)=N\C
InChIInChI=1S/C7H11NO/c1-3-4-5-7(6-9)8-2/h4-6H,3H2,1-2H3/b5-4-,8-7-
InChIKeyCWKIPUHIQVMNHG-UTOQUPLUSA-N
MW125.17 g/mol
LogP1.22
Rot. Bonds3

About (Z)-2-methyliminohex-3-enal

(Z)-2-methyliminohex-3-enal (PubChem CID 143097523) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-2-methyliminohex-3-enal.

Molecular Properties

Compound Name(Z)-2-methyliminohex-3-enal
PubChem CID143097523
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-2-methyliminohex-3-enal
SMILESCC/C=C\C(C=O)=N\C
InChIInChI=1S/C7H11NO/c1-3-4-5-7(6-9)8-2/h4-6H,3H2,1-2H3/b5-4-,8-7-
InChIKeyCWKIPUHIQVMNHG-UTOQUPLUSA-N
XLogP1.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal
CID 147332248
2H-pyrrole-5-carbaldehyde
CID 20649083
4-Methyl-2-methyliminopent-3-enal
CID 87414246
2,3-Dihydropyridine-6-carbaldehyde
CID 89091504
(Z)-2-methyliminopent-3-enal
CID 89534309
(Z)-4-methyliminopent-2-enal
CID 89878791
(Z)-5-propan-2-yliminopent-3-enal
CID 90771683
(Z)-5-ethyliminopent-3-enal
CID 90848161
2-Methyliminobut-3-enal
CID 91071390
2-Ethyliminohex-3-enal
CID 91525888
2H-azepine-7-carbaldehyde
CID 91805301
(E)-4-methyliminohex-2-enal
CID 123369901

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyliminohex-3-enal?
The IUPAC name of (Z)-2-methyliminohex-3-enal (CID 143097523) is (Z)-2-methyliminohex-3-enal.
What is the SMILES notation for (Z)-2-methyliminohex-3-enal?
The canonical SMILES for (Z)-2-methyliminohex-3-enal is CC/C=C\C(C=O)=N\C.
What is the InChIKey of (Z)-2-methyliminohex-3-enal?
The InChIKey is CWKIPUHIQVMNHG-UTOQUPLUSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-5-7(6-9)8-2/h4-6H,3H2,1-2H3/b5-4-,8-7-.
What are the key properties of (Z)-2-methyliminohex-3-enal?
(Z)-2-methyliminohex-3-enal has a molecular weight of 125.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyliminohex-3-enal is sourced from PubChem (CID 143097523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).