CID 21059295

C5H10BNO — CID 21059295

IUPAC—
SMILES[B]C(=O)N(CC)CC
InChIInChI=1S/C5H10BNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
InChIKeyUDAUJOVRHMWVQA-UHFFFAOYSA-N
MW110.95 g/mol
LogP0.62
Rot. Bonds2

About CID 21059295

CID 21059295 (PubChem CID 21059295) has the molecular formula C5H10BNO and a molecular weight of 110.95 g/mol.

Molecular Properties

Compound NameCID 21059295
PubChem CID21059295
Molecular FormulaC5H10BNO
Molecular Weight110.95 g/mol
Exact Mass111.09
IUPAC Name—
SMILES[B]C(=O)N(CC)CC
InChIInChI=1S/C5H10BNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
InChIKeyUDAUJOVRHMWVQA-UHFFFAOYSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.95
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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sodium;1,1-diethylurea;hydride
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1-N,1-N,1-N',1-N',2-N,2-N,2-N',2-N'-octaethylethene-1,1,2,2-tetramine
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CID 22966943
CID 22966943

Frequently Asked Questions

What is the IUPAC name of CID 21059295?
The IUPAC name of CID 21059295 (CID 21059295) is not available.
What is the SMILES notation for CID 21059295?
The canonical SMILES for CID 21059295 is [B]C(=O)N(CC)CC.
What is the InChIKey of CID 21059295?
The InChIKey is UDAUJOVRHMWVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3.
What are the key properties of CID 21059295?
CID 21059295 has a molecular weight of 110.95 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21059295 is sourced from PubChem (CID 21059295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).