4-(2-methylidenebut-3-enyl)morpholine

C9H15NO — CID 45122839

IUPAC4-(2-methylidenebut-3-enyl)morpholine
SMILESC=CC(=C)CN1CCOCC1
InChIInChI=1S/C9H15NO/c1-3-9(2)8-10-4-6-11-7-5-10/h3H,1-2,4-8H2
InChIKeyMBCLWZKIYHLTSM-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds3

About 4-(2-methylidenebut-3-enyl)morpholine

4-(2-methylidenebut-3-enyl)morpholine (PubChem CID 45122839) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(2-methylidenebut-3-enyl)morpholine.

Molecular Properties

Compound Name4-(2-methylidenebut-3-enyl)morpholine
PubChem CID45122839
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(2-methylidenebut-3-enyl)morpholine
SMILESC=CC(=C)CN1CCOCC1
InChIInChI=1S/C9H15NO/c1-3-9(2)8-10-4-6-11-7-5-10/h3H,1-2,4-8H2
InChIKeyMBCLWZKIYHLTSM-UHFFFAOYSA-N
XLogP1.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylidenebut-3-enyl)morpholine?
The IUPAC name of 4-(2-methylidenebut-3-enyl)morpholine (CID 45122839) is 4-(2-methylidenebut-3-enyl)morpholine.
What is the SMILES notation for 4-(2-methylidenebut-3-enyl)morpholine?
The canonical SMILES for 4-(2-methylidenebut-3-enyl)morpholine is C=CC(=C)CN1CCOCC1.
What is the InChIKey of 4-(2-methylidenebut-3-enyl)morpholine?
The InChIKey is MBCLWZKIYHLTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(2)8-10-4-6-11-7-5-10/h3H,1-2,4-8H2.
What are the key properties of 4-(2-methylidenebut-3-enyl)morpholine?
4-(2-methylidenebut-3-enyl)morpholine has a molecular weight of 153.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylidenebut-3-enyl)morpholine is sourced from PubChem (CID 45122839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).