CID 153370971

C6H10BN — CID 153370971

IUPAC—
SMILES[B]N1C=CC(C)CC1
InChIInChI=1S/C6H10BN/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyPWCQTEJPWYIOOG-UHFFFAOYSA-N
MW106.96 g/mol
LogP0.93
Rot. Bonds

About CID 153370971

CID 153370971 (PubChem CID 153370971) has the molecular formula C6H10BN and a molecular weight of 106.96 g/mol.

Molecular Properties

Compound NameCID 153370971
PubChem CID153370971
Molecular FormulaC6H10BN
Molecular Weight106.96 g/mol
Exact Mass107.09
IUPAC Name—
SMILES[B]N1C=CC(C)CC1
InChIInChI=1S/C6H10BN/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyPWCQTEJPWYIOOG-UHFFFAOYSA-N
XLogP0.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.96
LogP ≤ 50.93
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 153370971?
The IUPAC name of CID 153370971 (CID 153370971) is not available.
What is the SMILES notation for CID 153370971?
The canonical SMILES for CID 153370971 is [B]N1C=CC(C)CC1.
What is the InChIKey of CID 153370971?
The InChIKey is PWCQTEJPWYIOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BN/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3.
What are the key properties of CID 153370971?
CID 153370971 has a molecular weight of 106.96 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153370971 is sourced from PubChem (CID 153370971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).