CID 174031281

C6H10B — CID 174031281

IUPAC—
SMILESC=C1[B]CCC1C
InChIInChI=1S/C6H10B/c1-5-3-4-7-6(5)2/h5H,2-4H2,1H3
InChIKeyVMSWFPGILYTFKR-UHFFFAOYSA-N
MW92.96 g/mol
LogP1.66
Rot. Bonds

About CID 174031281

CID 174031281 (PubChem CID 174031281) has the molecular formula C6H10B and a molecular weight of 92.96 g/mol.

Molecular Properties

Compound NameCID 174031281
PubChem CID174031281
Molecular FormulaC6H10B
Molecular Weight92.96 g/mol
Exact Mass93.09
IUPAC Name—
SMILESC=C1[B]CCC1C
InChIInChI=1S/C6H10B/c1-5-3-4-7-6(5)2/h5H,2-4H2,1H3
InChIKeyVMSWFPGILYTFKR-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.96
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 67559953
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CID 72647858
CID 123389609
CID 123389609
CID 170745031
CID 170745031
CID 173692925
CID 173692925

Frequently Asked Questions

What is the IUPAC name of CID 174031281?
The IUPAC name of CID 174031281 (CID 174031281) is not available.
What is the SMILES notation for CID 174031281?
The canonical SMILES for CID 174031281 is C=C1[B]CCC1C.
What is the InChIKey of CID 174031281?
The InChIKey is VMSWFPGILYTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10B/c1-5-3-4-7-6(5)2/h5H,2-4H2,1H3.
What are the key properties of CID 174031281?
CID 174031281 has a molecular weight of 92.96 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174031281 is sourced from PubChem (CID 174031281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).