CID 23535522

C5H11BN2 — CID 23535522

IUPAC—
SMILES[B]CNC(=C)N(C)C
InChIInChI=1S/C5H11BN2/c1-5(7-4-6)8(2)3/h7H,1,4H2,2-3H3
InChIKeyDIWWMSFACJRUCY-UHFFFAOYSA-N
MW109.97 g/mol
LogP-0.27
Rot. Bonds3

About CID 23535522

CID 23535522 (PubChem CID 23535522) has the molecular formula C5H11BN2 and a molecular weight of 109.97 g/mol.

Molecular Properties

Compound NameCID 23535522
PubChem CID23535522
Molecular FormulaC5H11BN2
Molecular Weight109.97 g/mol
Exact Mass110.10
IUPAC Name—
SMILES[B]CNC(=C)N(C)C
InChIInChI=1S/C5H11BN2/c1-5(7-4-6)8(2)3/h7H,1,4H2,2-3H3
InChIKeyDIWWMSFACJRUCY-UHFFFAOYSA-N
XLogP-0.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.97
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
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 23535522?
The IUPAC name of CID 23535522 (CID 23535522) is not available.
What is the SMILES notation for CID 23535522?
The canonical SMILES for CID 23535522 is [B]CNC(=C)N(C)C.
What is the InChIKey of CID 23535522?
The InChIKey is DIWWMSFACJRUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BN2/c1-5(7-4-6)8(2)3/h7H,1,4H2,2-3H3.
What are the key properties of CID 23535522?
CID 23535522 has a molecular weight of 109.97 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23535522 is sourced from PubChem (CID 23535522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).