CID 142345131

C3H7BN2O — CID 142345131

IUPAC—
SMILES[B]N(C)C(=O)NC
InChIInChI=1S/C3H7BN2O/c1-5-3(7)6(2)4/h1-2H3,(H,5,7)
InChIKeyUWNMYBCBFWQTCJ-UHFFFAOYSA-N
MW97.91 g/mol
LogP-0.66
Rot. Bonds

About CID 142345131

CID 142345131 (PubChem CID 142345131) has the molecular formula C3H7BN2O and a molecular weight of 97.91 g/mol.

Molecular Properties

Compound NameCID 142345131
PubChem CID142345131
Molecular FormulaC3H7BN2O
Molecular Weight97.91 g/mol
Exact Mass98.07
IUPAC Name—
SMILES[B]N(C)C(=O)NC
InChIInChI=1S/C3H7BN2O/c1-5-3(7)6(2)4/h1-2H3,(H,5,7)
InChIKeyUWNMYBCBFWQTCJ-UHFFFAOYSA-N
XLogP-0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.91
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 142345131?
The IUPAC name of CID 142345131 (CID 142345131) is not available.
What is the SMILES notation for CID 142345131?
The canonical SMILES for CID 142345131 is [B]N(C)C(=O)NC.
What is the InChIKey of CID 142345131?
The InChIKey is UWNMYBCBFWQTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BN2O/c1-5-3(7)6(2)4/h1-2H3,(H,5,7).
What are the key properties of CID 142345131?
CID 142345131 has a molecular weight of 97.91 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142345131 is sourced from PubChem (CID 142345131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).