2-but-1-enyl-2-butylmorpholine

C12H23NO — CID 68588532

IUPAC2-but-1-enyl-2-butylmorpholine
SMILESCCC=CC1(CCCC)CNCCO1
InChIInChI=1S/C12H23NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyFKNJBVGJHTUDFT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About 2-but-1-enyl-2-butylmorpholine

2-but-1-enyl-2-butylmorpholine (PubChem CID 68588532) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-but-1-enyl-2-butylmorpholine.

Molecular Properties

Compound Name2-but-1-enyl-2-butylmorpholine
PubChem CID68588532
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-but-1-enyl-2-butylmorpholine
SMILESCCC=CC1(CCCC)CNCCO1
InChIInChI=1S/C12H23NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyFKNJBVGJHTUDFT-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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-but-1-enyl-2-butylmorpholine?
The IUPAC name of 2-but-1-enyl-2-butylmorpholine (CID 68588532) is 2-but-1-enyl-2-butylmorpholine.
What is the SMILES notation for 2-but-1-enyl-2-butylmorpholine?
The canonical SMILES for 2-but-1-enyl-2-butylmorpholine is CCC=CC1(CCCC)CNCCO1.
What is the InChIKey of 2-but-1-enyl-2-butylmorpholine?
The InChIKey is FKNJBVGJHTUDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-7-12(8-6-4-2)11-13-9-10-14-12/h5,7,13H,3-4,6,8-11H2,1-2H3.
What are the key properties of 2-but-1-enyl-2-butylmorpholine?
2-but-1-enyl-2-butylmorpholine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-2-butylmorpholine is sourced from PubChem (CID 68588532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).