but-1-ene;morpholine

C8H17NO — CID 160896627

IUPACbut-1-ene;morpholine
SMILESC1COCCN1.C=CCC
InChIInChI=1S/C4H9NO.C4H8/c1-3-6-4-2-5-1;1-3-4-2/h5H,1-4H2;3H,1,4H2,2H3
InChIKeySOYPIFJEUUZJQM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds1

About but-1-ene;morpholine

but-1-ene;morpholine (PubChem CID 160896627) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is but-1-ene;morpholine.

Molecular Properties

Compound Namebut-1-ene;morpholine
PubChem CID160896627
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namebut-1-ene;morpholine
SMILESC1COCCN1.C=CCC
InChIInChI=1S/C4H9NO.C4H8/c1-3-6-4-2-5-1;1-3-4-2/h5H,1-4H2;3H,1,4H2,2H3
InChIKeySOYPIFJEUUZJQM-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
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 but-1-ene;morpholine?
The IUPAC name of but-1-ene;morpholine (CID 160896627) is but-1-ene;morpholine.
What is the SMILES notation for but-1-ene;morpholine?
The canonical SMILES for but-1-ene;morpholine is C1COCCN1.C=CCC.
What is the InChIKey of but-1-ene;morpholine?
The InChIKey is SOYPIFJEUUZJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H8/c1-3-6-4-2-5-1;1-3-4-2/h5H,1-4H2;3H,1,4H2,2H3.
What are the key properties of but-1-ene;morpholine?
but-1-ene;morpholine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;morpholine is sourced from PubChem (CID 160896627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).