CID 58944995

C5H10BN — CID 58944995

IUPAC—
SMILES[B]C1(C)CN(C)C1
InChIInChI=1S/C5H10BN/c1-5(6)3-7(2)4-5/h3-4H2,1-2H3
InChIKeyTYGHLVXSYHSADT-UHFFFAOYSA-N
MW94.95 g/mol
LogP0.28
Rot. Bonds

About CID 58944995

CID 58944995 (PubChem CID 58944995) has the molecular formula C5H10BN and a molecular weight of 94.95 g/mol.

Molecular Properties

Compound NameCID 58944995
PubChem CID58944995
Molecular FormulaC5H10BN
Molecular Weight94.95 g/mol
Exact Mass95.09
IUPAC Name—
SMILES[B]C1(C)CN(C)C1
InChIInChI=1S/C5H10BN/c1-5(6)3-7(2)4-5/h3-4H2,1-2H3
InChIKeyTYGHLVXSYHSADT-UHFFFAOYSA-N
XLogP0.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.95
LogP ≤ 50.28
H-Bond Donors ≤ 50
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 58944995?
The IUPAC name of CID 58944995 (CID 58944995) is not available.
What is the SMILES notation for CID 58944995?
The canonical SMILES for CID 58944995 is [B]C1(C)CN(C)C1.
What is the InChIKey of CID 58944995?
The InChIKey is TYGHLVXSYHSADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BN/c1-5(6)3-7(2)4-5/h3-4H2,1-2H3.
What are the key properties of CID 58944995?
CID 58944995 has a molecular weight of 94.95 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58944995 is sourced from PubChem (CID 58944995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).