4-(2-buta-1,3-dien-2-yloxyethyl)morpholine

C10H17NO2 — CID 91550852

IUPAC4-(2-buta-1,3-dien-2-yloxyethyl)morpholine
SMILESC=CC(=C)OCCN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-10(2)13-9-6-11-4-7-12-8-5-11/h3H,1-2,4-9H2
InChIKeyBCJZRUKNCAJCBS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds5

About 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine

4-(2-buta-1,3-dien-2-yloxyethyl)morpholine (PubChem CID 91550852) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine.

Molecular Properties

Compound Name4-(2-buta-1,3-dien-2-yloxyethyl)morpholine
PubChem CID91550852
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-(2-buta-1,3-dien-2-yloxyethyl)morpholine
SMILESC=CC(=C)OCCN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-3-10(2)13-9-6-11-4-7-12-8-5-11/h3H,1-2,4-9H2
InChIKeyBCJZRUKNCAJCBS-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine?
The IUPAC name of 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine (CID 91550852) is 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine.
What is the SMILES notation for 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine?
The canonical SMILES for 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine is C=CC(=C)OCCN1CCOCC1.
What is the InChIKey of 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine?
The InChIKey is BCJZRUKNCAJCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(2)13-9-6-11-4-7-12-8-5-11/h3H,1-2,4-9H2.
What are the key properties of 4-(2-buta-1,3-dien-2-yloxyethyl)morpholine?
4-(2-buta-1,3-dien-2-yloxyethyl)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-dien-2-yloxyethyl)morpholine is sourced from PubChem (CID 91550852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).