CID 147982953

C9H9B — CID 147982953

IUPAC—
SMILES[B]C(C=C)c1ccccc1
InChIInChI=1S/C9H9B/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeyUZBBBSNARNFNGS-UHFFFAOYSA-N
MW127.98 g/mol
LogP2.08
Rot. Bonds2

About CID 147982953

CID 147982953 (PubChem CID 147982953) has the molecular formula C9H9B and a molecular weight of 127.98 g/mol.

Molecular Properties

Compound NameCID 147982953
PubChem CID147982953
Molecular FormulaC9H9B
Molecular Weight127.98 g/mol
Exact Mass128.08
IUPAC Name—
SMILES[B]C(C=C)c1ccccc1
InChIInChI=1S/C9H9B/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeyUZBBBSNARNFNGS-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.98
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 142097895
CID 142097895
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
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(2R)-2-phenylbut-3-enenitrile
CID 92980223
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
benzene;1-phenylprop-2-en-1-ol
CID 174884403
1-phenylprop-2-enyloxidanium
CID 135026196
1-iodoprop-2-enylbenzene
CID 21195039
1-chloroprop-2-enylbenzene
CID 11768772
1-(1-phenylprop-2-enyl)pyridin-1-ium chloride
CID 23290371
1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
CID 102511686
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061

Frequently Asked Questions

What is the IUPAC name of CID 147982953?
The IUPAC name of CID 147982953 (CID 147982953) is not available.
What is the SMILES notation for CID 147982953?
The canonical SMILES for CID 147982953 is [B]C(C=C)c1ccccc1.
What is the InChIKey of CID 147982953?
The InChIKey is UZBBBSNARNFNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9B/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2.
What are the key properties of CID 147982953?
CID 147982953 has a molecular weight of 127.98 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147982953 is sourced from PubChem (CID 147982953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).