CID 58592953

C5H10BNO — CID 58592953

IUPAC—
SMILES[B]C1CNCCC1O
InChIInChI=1S/C5H10BNO/c6-4-3-7-2-1-5(4)8/h4-5,7-8H,1-3H2
InChIKeyHZTCUNPIGOZCRC-UHFFFAOYSA-N
MW110.95 g/mol
LogP-0.70
Rot. Bonds

About CID 58592953

CID 58592953 (PubChem CID 58592953) has the molecular formula C5H10BNO and a molecular weight of 110.95 g/mol.

Molecular Properties

Compound NameCID 58592953
PubChem CID58592953
Molecular FormulaC5H10BNO
Molecular Weight110.95 g/mol
Exact Mass111.09
IUPAC Name—
SMILES[B]C1CNCCC1O
InChIInChI=1S/C5H10BNO/c6-4-3-7-2-1-5(4)8/h4-5,7-8H,1-3H2
InChIKeyHZTCUNPIGOZCRC-UHFFFAOYSA-N
XLogP-0.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.95
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
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 CID 58592953?
The IUPAC name of CID 58592953 (CID 58592953) is not available.
What is the SMILES notation for CID 58592953?
The canonical SMILES for CID 58592953 is [B]C1CNCCC1O.
What is the InChIKey of CID 58592953?
The InChIKey is HZTCUNPIGOZCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BNO/c6-4-3-7-2-1-5(4)8/h4-5,7-8H,1-3H2.
What are the key properties of CID 58592953?
CID 58592953 has a molecular weight of 110.95 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58592953 is sourced from PubChem (CID 58592953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).