2,2-bis(but-1-enyl)morpholine

C12H21NO — CID 68589117

IUPAC2,2-bis(but-1-enyl)morpholine
SMILESCCC=CC1(C=CCC)CNCCO1
InChIInChI=1S/C12H21NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyGEHLMFZGYSGWAK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds4

About 2,2-bis(but-1-enyl)morpholine

2,2-bis(but-1-enyl)morpholine (PubChem CID 68589117) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2-bis(but-1-enyl)morpholine.

Molecular Properties

Compound Name2,2-bis(but-1-enyl)morpholine
PubChem CID68589117
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,2-bis(but-1-enyl)morpholine
SMILESCCC=CC1(C=CCC)CNCCO1
InChIInChI=1S/C12H21NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyGEHLMFZGYSGWAK-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(but-1-enyl)morpholine?
The IUPAC name of 2,2-bis(but-1-enyl)morpholine (CID 68589117) is 2,2-bis(but-1-enyl)morpholine.
What is the SMILES notation for 2,2-bis(but-1-enyl)morpholine?
The canonical SMILES for 2,2-bis(but-1-enyl)morpholine is CCC=CC1(C=CCC)CNCCO1.
What is the InChIKey of 2,2-bis(but-1-enyl)morpholine?
The InChIKey is GEHLMFZGYSGWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of 2,2-bis(but-1-enyl)morpholine?
2,2-bis(but-1-enyl)morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(but-1-enyl)morpholine is sourced from PubChem (CID 68589117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).