borane;morpholine

C4H12BNO — CID 517361

IUPACborane;morpholine
SMILESB.C1COCCN1
InChIInChI=1S/C4H9NO.BH3/c1-3-6-4-2-5-1;/h5H,1-4H2;1H3
InChIKeyIFVAHVOGOBRFSP-UHFFFAOYSA-N
MW100.96 g/mol
LogP-1.58
Rot. Bonds

About borane;morpholine

borane;morpholine (PubChem CID 517361) has the molecular formula C4H12BNO and a molecular weight of 100.96 g/mol. Its IUPAC name is borane;morpholine.

Molecular Properties

Compound Nameborane;morpholine
PubChem CID517361
Molecular FormulaC4H12BNO
Molecular Weight100.96 g/mol
Exact Mass101.10
IUPAC Nameborane;morpholine
SMILESB.C1COCCN1
InChIInChI=1S/C4H9NO.BH3/c1-3-6-4-2-5-1;/h5H,1-4H2;1H3
InChIKeyIFVAHVOGOBRFSP-UHFFFAOYSA-N
XLogP-1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.96
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of borane;morpholine?
The IUPAC name of borane;morpholine (CID 517361) is borane;morpholine.
What is the SMILES notation for borane;morpholine?
The canonical SMILES for borane;morpholine is B.C1COCCN1.
What is the InChIKey of borane;morpholine?
The InChIKey is IFVAHVOGOBRFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.BH3/c1-3-6-4-2-5-1;/h5H,1-4H2;1H3.
What are the key properties of borane;morpholine?
borane;morpholine has a molecular weight of 100.96 g/mol, XLogP of -1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for borane;morpholine is sourced from PubChem (CID 517361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).