CID 173497678

C2H4BNO — CID 173497678

IUPAC—
SMILES[B][C@H](C)N=O
InChIInChI=1S/C2H4BNO/c1-2(3)4-5/h2H,1H3/t2-/m0/s1
InChIKeyLSXHKOSAPNPGHH-REOHCLBHSA-N
MW68.87 g/mol
LogP0.27
Rot. Bonds1

About CID 173497678

CID 173497678 (PubChem CID 173497678) has the molecular formula C2H4BNO and a molecular weight of 68.87 g/mol.

Molecular Properties

Compound NameCID 173497678
PubChem CID173497678
Molecular FormulaC2H4BNO
Molecular Weight68.87 g/mol
Exact Mass69.04
IUPAC Name—
SMILES[B][C@H](C)N=O
InChIInChI=1S/C2H4BNO/c1-2(3)4-5/h2H,1H3/t2-/m0/s1
InChIKeyLSXHKOSAPNPGHH-REOHCLBHSA-N
XLogP0.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.87
LogP ≤ 50.27
H-Bond Donors ≤ 50
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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methyl(2-nitrosopropylidene)-λ3-iodane
CID 163434613
1-chloro-3-methyl-2-nitrosobutane
CID 22338293
3-nitrosobut-1-en-2-amine
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CID 134994075
CID 134994075

Frequently Asked Questions

What is the IUPAC name of CID 173497678?
The IUPAC name of CID 173497678 (CID 173497678) is not available.
What is the SMILES notation for CID 173497678?
The canonical SMILES for CID 173497678 is [B][C@H](C)N=O.
What is the InChIKey of CID 173497678?
The InChIKey is LSXHKOSAPNPGHH-REOHCLBHSA-N. The full InChI is InChI=1S/C2H4BNO/c1-2(3)4-5/h2H,1H3/t2-/m0/s1.
What are the key properties of CID 173497678?
CID 173497678 has a molecular weight of 68.87 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173497678 is sourced from PubChem (CID 173497678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).