(2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal

C14H21NO4 — CID 143920387

IUPAC(2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal
SMILESC=C(/C=C(/C=O)C(=C)OCCN1CCOCC1)OC
InChIInChI=1S/C14H21NO4/c1-12(17-3)10-14(11-16)13(2)19-9-6-15-4-7-18-8-5-15/h10-11H,1-2,4-9H2,3H3/b14-10-
InChIKeyLYEWGCOQBKJWAO-UVTDQMKNSA-N
MW267.32 g/mol
LogP1.13
Rot. Bonds8

About (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal

(2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal (PubChem CID 143920387) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal.

Molecular Properties

Compound Name(2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal
PubChem CID143920387
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal
SMILESC=C(/C=C(/C=O)C(=C)OCCN1CCOCC1)OC
InChIInChI=1S/C14H21NO4/c1-12(17-3)10-14(11-16)13(2)19-9-6-15-4-7-18-8-5-15/h10-11H,1-2,4-9H2,3H3/b14-10-
InChIKeyLYEWGCOQBKJWAO-UVTDQMKNSA-N
XLogP1.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal 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

bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
1-(2-morpholin-4-ylethoxy)ethenamine
CID 89172266
2-morpholin-4-ylethyl but-3-enoate
CID 163582404
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
(2Z)-3-(2-morpholin-4-ylethoxy)penta-2,4-dien-2-ol
CID 155441773
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454
4-O-[2-[[(2E)-4-methoxypenta-2,4-dienoyl]oxymethyl]-3-morpholin-4-ylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 126554489
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535

Frequently Asked Questions

What is the IUPAC name of (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal?
The IUPAC name of (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal (CID 143920387) is (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal.
What is the SMILES notation for (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal?
The canonical SMILES for (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal is C=C(/C=C(/C=O)C(=C)OCCN1CCOCC1)OC.
What is the InChIKey of (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal?
The InChIKey is LYEWGCOQBKJWAO-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H21NO4/c1-12(17-3)10-14(11-16)13(2)19-9-6-15-4-7-18-8-5-15/h10-11H,1-2,4-9H2,3H3/b14-10-.
What are the key properties of (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal?
(2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal has a molecular weight of 267.32 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methoxy-2-[1-(2-morpholin-4-ylethoxy)ethenyl]penta-2,4-dienal is sourced from PubChem (CID 143920387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).