CID 19024395

C5H10BNO3 — CID 19024395

IUPAC—
SMILESC1COCCN1.[B]C(=O)O
InChIInChI=1S/C4H9NO.CHBO2/c1-3-6-4-2-5-1;2-1(3)4/h5H,1-4H2;(H,3,4)
InChIKeyYUYGVDCOJYXSMN-UHFFFAOYSA-N
MW142.95 g/mol
LogP-0.56
Rot. Bonds

About CID 19024395

CID 19024395 (PubChem CID 19024395) has the molecular formula C5H10BNO3 and a molecular weight of 142.95 g/mol.

Molecular Properties

Compound NameCID 19024395
PubChem CID19024395
Molecular FormulaC5H10BNO3
Molecular Weight142.95 g/mol
Exact Mass143.08
IUPAC Name—
SMILESC1COCCN1.[B]C(=O)O
InChIInChI=1S/C4H9NO.CHBO2/c1-3-6-4-2-5-1;2-1(3)4/h5H,1-4H2;(H,3,4)
InChIKeyYUYGVDCOJYXSMN-UHFFFAOYSA-N
XLogP-0.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.95
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Morpholine, acetate (1:1)
CID 11964105
Carbamic acid-morpholine(1:1)
CID 273113
Morpholine formate
CID 13094120
Morpholinium formate
CID 21327648
Morpholine water
CID 67723360
Morpholine carbonate
CID 68879409
Carbonochloridic acid;morpholine
CID 17980037
CID 21299332
CID 21299332
Morpholin-4-ium hydroxide
CID 21869043
Hydrogen carbonate;4-methylmorpholin-4-ium
CID 22362878
Morpholine-2,2-diol
CID 54489838
CID 57177352
CID 57177352

Frequently Asked Questions

What is the IUPAC name of CID 19024395?
The IUPAC name of CID 19024395 (CID 19024395) is not available.
What is the SMILES notation for CID 19024395?
The canonical SMILES for CID 19024395 is C1COCCN1.[B]C(=O)O.
What is the InChIKey of CID 19024395?
The InChIKey is YUYGVDCOJYXSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CHBO2/c1-3-6-4-2-5-1;2-1(3)4/h5H,1-4H2;(H,3,4).
What are the key properties of CID 19024395?
CID 19024395 has a molecular weight of 142.95 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19024395 is sourced from PubChem (CID 19024395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).