CID 174102680

C10H11B — CID 174102680

IUPAC—
SMILES[B]CC(=C)c1cccc(C)c1
InChIInChI=1S/C10H11B/c1-8-4-3-5-10(6-8)9(2)7-11/h3-6H,2,7H2,1H3
InChIKeyHWIBJGCYTFDWQU-UHFFFAOYSA-N
MW142.01 g/mol
LogP2.60
Rot. Bonds2

About CID 174102680

CID 174102680 (PubChem CID 174102680) has the molecular formula C10H11B and a molecular weight of 142.01 g/mol.

Molecular Properties

Compound NameCID 174102680
PubChem CID174102680
Molecular FormulaC10H11B
Molecular Weight142.01 g/mol
Exact Mass142.10
IUPAC Name—
SMILES[B]CC(=C)c1cccc(C)c1
InChIInChI=1S/C10H11B/c1-8-4-3-5-10(6-8)9(2)7-11/h3-6H,2,7H2,1H3
InChIKeyHWIBJGCYTFDWQU-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.01
LogP ≤ 52.60
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

3-(3-methylphenyl)but-3-enenitrile
CID 166829284
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
4-methyl-1-(3-methylphenyl)pent-4-en-1-one
CID 114473491
1-[2-(3-methylphenyl)prop-2-enyl]piperazine
CID 82509183
N-[1-(3-methylphenyl)ethenyl]hydroxylamine
CID 142051233
1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene
CID 143192963
1-(3-methylphenyl)ethenylhydrazine
CID 129060271
1,3-bis(but-1-en-2-yl)benzene
CID 19692093
bis(3-methylphenyl)methanone
CID 17848
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
2,2,3,3-tetrafluoro-6-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-1,4-dihydronaphthalene
CID 139563176

Frequently Asked Questions

What is the IUPAC name of CID 174102680?
The IUPAC name of CID 174102680 (CID 174102680) is not available.
What is the SMILES notation for CID 174102680?
The canonical SMILES for CID 174102680 is [B]CC(=C)c1cccc(C)c1.
What is the InChIKey of CID 174102680?
The InChIKey is HWIBJGCYTFDWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11B/c1-8-4-3-5-10(6-8)9(2)7-11/h3-6H,2,7H2,1H3.
What are the key properties of CID 174102680?
CID 174102680 has a molecular weight of 142.01 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174102680 is sourced from PubChem (CID 174102680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).