(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal

C8H11NO2 — CID 176567543

IUPAC(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal
SMILESC=N/C=C(C=O)\C(=C/C)OC
InChIInChI=1S/C8H11NO2/c1-4-8(11-3)7(6-10)5-9-2/h4-6H,2H2,1,3H3/b7-5-,8-4+
InChIKeyLUVUPKMBQUNEMX-DZAKWUEVSA-N
MW153.18 g/mol
LogP1.32
Rot. Bonds4

About (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal

(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal (PubChem CID 176567543) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal.

Molecular Properties

Compound Name(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal
PubChem CID176567543
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal
SMILESC=N/C=C(C=O)\C(=C/C)OC
InChIInChI=1S/C8H11NO2/c1-4-8(11-3)7(6-10)5-9-2/h4-6H,2H2,1,3H3/b7-5-,8-4+
InChIKeyLUVUPKMBQUNEMX-DZAKWUEVSA-N
XLogP1.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal with MolForge

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

Launch Full Analysis

Related Compounds

(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
CID 153392281
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
CID 175637730
methyl (E)-2-formylbut-2-enoate
CID 13359377
(2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal
CID 59671804
methyl (Z)-2-(methylideneamino)oxybut-2-enoate
CID 142544311
N-[(3E,5E)-5-methoxyhepta-1,3,5-trien-4-yl]methanimine
CID 145152774
(3E)-2-bromo-3-methoxypenta-1,3-diene
CID 147749518
acetylene;methyl (Z)-2-(methylideneamino)oxybut-2-enoate
CID 142544310
[(E)-1,2-bis(methylideneamino)ethenyl] acetate
CID 143985283
(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienal
CID 142588192
6-[[(1E,3E)-3-formyl-1-(methylideneamino)penta-1,3-dien-2-yl]oxymethyl]-N-methylsulfonylpyridine-3-carboxamide
CID 134546469
acetaldehyde;methyl acetate;2-methylprop-2-enal
CID 174926780

Frequently Asked Questions

What is the IUPAC name of (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal?
The IUPAC name of (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal (CID 176567543) is (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal.
What is the SMILES notation for (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal?
The canonical SMILES for (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal is C=N/C=C(C=O)\C(=C/C)OC.
What is the InChIKey of (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal?
The InChIKey is LUVUPKMBQUNEMX-DZAKWUEVSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-8(11-3)7(6-10)5-9-2/h4-6H,2H2,1,3H3/b7-5-,8-4+.
What are the key properties of (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal?
(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal has a molecular weight of 153.18 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal is sourced from PubChem (CID 176567543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).