CID 158263470

C7H15BN — CID 158263470

IUPAC—
SMILESCC(C)=CNC(C)C.[B]
InChIInChI=1S/C7H15N.B/c1-6(2)5-8-7(3)4;/h5,7-8H,1-4H3;
InChIKeyCUYCOSMTYAUOHE-UHFFFAOYSA-N
MW124.02 g/mol
LogP1.53
Rot. Bonds2

About CID 158263470

CID 158263470 (PubChem CID 158263470) has the molecular formula C7H15BN and a molecular weight of 124.02 g/mol.

Molecular Properties

Compound NameCID 158263470
PubChem CID158263470
Molecular FormulaC7H15BN
Molecular Weight124.02 g/mol
Exact Mass124.13
IUPAC Name—
SMILESCC(C)=CNC(C)C.[B]
InChIInChI=1S/C7H15N.B/c1-6(2)5-8-7(3)4;/h5,7-8H,1-4H3;
InChIKeyCUYCOSMTYAUOHE-UHFFFAOYSA-N
XLogP1.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.02
LogP ≤ 51.53
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 158263470?
The IUPAC name of CID 158263470 (CID 158263470) is not available.
What is the SMILES notation for CID 158263470?
The canonical SMILES for CID 158263470 is CC(C)=CNC(C)C.[B].
What is the InChIKey of CID 158263470?
The InChIKey is CUYCOSMTYAUOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.B/c1-6(2)5-8-7(3)4;/h5,7-8H,1-4H3;.
What are the key properties of CID 158263470?
CID 158263470 has a molecular weight of 124.02 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158263470 is sourced from PubChem (CID 158263470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).