CID 162446410

C4H8BNO — CID 162446410

IUPAC—
SMILES[B]C1CNCCO1
InChIInChI=1S/C4H8BNO/c5-4-3-6-1-2-7-4/h4,6H,1-3H2
InChIKeyHSBWRHHETGCTKD-UHFFFAOYSA-N
MW96.93 g/mol
LogP-0.90
Rot. Bonds

About CID 162446410

CID 162446410 (PubChem CID 162446410) has the molecular formula C4H8BNO and a molecular weight of 96.93 g/mol.

Molecular Properties

Compound NameCID 162446410
PubChem CID162446410
Molecular FormulaC4H8BNO
Molecular Weight96.93 g/mol
Exact Mass97.07
IUPAC Name—
SMILES[B]C1CNCCO1
InChIInChI=1S/C4H8BNO/c5-4-3-6-1-2-7-4/h4,6H,1-3H2
InChIKeyHSBWRHHETGCTKD-UHFFFAOYSA-N
XLogP-0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.93
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 144850934
(2R)-2-(difluoromethyl)morpholine
CID 97296988
(2S)-morpholine-2-carbonitrile;hydrochloride
CID 121225951
2-[[(2S)-oxiran-2-yl]methyl]morpholine
CID 87626819

Frequently Asked Questions

What is the IUPAC name of CID 162446410?
The IUPAC name of CID 162446410 (CID 162446410) is not available.
What is the SMILES notation for CID 162446410?
The canonical SMILES for CID 162446410 is [B]C1CNCCO1.
What is the InChIKey of CID 162446410?
The InChIKey is HSBWRHHETGCTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BNO/c5-4-3-6-1-2-7-4/h4,6H,1-3H2.
What are the key properties of CID 162446410?
CID 162446410 has a molecular weight of 96.93 g/mol, XLogP of -0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162446410 is sourced from PubChem (CID 162446410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).