4-(2-buta-1,3-dienoxyethyl)morpholine

C10H17NO2 — CID 91136773

IUPAC4-(2-buta-1,3-dienoxyethyl)morpholine
SMILESC=CC=COCCN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-7-12-8-4-11-5-9-13-10-6-11/h2-3,7H,1,4-6,8-10H2
InChIKeyAEZGBBOBTWKVLS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds5

About 4-(2-buta-1,3-dienoxyethyl)morpholine

4-(2-buta-1,3-dienoxyethyl)morpholine (PubChem CID 91136773) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(2-buta-1,3-dienoxyethyl)morpholine.

Molecular Properties

Compound Name4-(2-buta-1,3-dienoxyethyl)morpholine
PubChem CID91136773
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(2-buta-1,3-dienoxyethyl)morpholine
SMILESC=CC=COCCN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-7-12-8-4-11-5-9-13-10-6-11/h2-3,7H,1,4-6,8-10H2
InChIKeyAEZGBBOBTWKVLS-UHFFFAOYSA-N
XLogP1.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-buta-1,3-dienoxyethyl)morpholine 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 4-(2-buta-1,3-dienoxyethyl)morpholine?
The IUPAC name of 4-(2-buta-1,3-dienoxyethyl)morpholine (CID 91136773) is 4-(2-buta-1,3-dienoxyethyl)morpholine.
What is the SMILES notation for 4-(2-buta-1,3-dienoxyethyl)morpholine?
The canonical SMILES for 4-(2-buta-1,3-dienoxyethyl)morpholine is C=CC=COCCN1CCOCC1.
What is the InChIKey of 4-(2-buta-1,3-dienoxyethyl)morpholine?
The InChIKey is AEZGBBOBTWKVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-7-12-8-4-11-5-9-13-10-6-11/h2-3,7H,1,4-6,8-10H2.
What are the key properties of 4-(2-buta-1,3-dienoxyethyl)morpholine?
4-(2-buta-1,3-dienoxyethyl)morpholine has a molecular weight of 183.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-buta-1,3-dienoxyethyl)morpholine is sourced from PubChem (CID 91136773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).