5-methyl-10H-cyclohepta[b][1]benzoborole

C14H13B — CID 163977503

IUPAC5-methyl-10H-cyclohepta[b][1]benzoborole
SMILESCB1C2=C(CC=CC=C2)c2ccccc21
InChIInChI=1S/C14H13B/c1-15-13-9-4-2-3-7-11(13)12-8-5-6-10-14(12)15/h2-6,8-10H,7H2,1H3
InChIKeySVLXRHUBSHJLNL-UHFFFAOYSA-N
MW192.07 g/mol
LogP2.84
Rot. Bonds

About 5-methyl-10H-cyclohepta[b][1]benzoborole

5-methyl-10H-cyclohepta[b][1]benzoborole (PubChem CID 163977503) has the molecular formula C14H13B and a molecular weight of 192.07 g/mol. Its IUPAC name is 5-methyl-10H-cyclohepta[b][1]benzoborole.

Molecular Properties

Compound Name5-methyl-10H-cyclohepta[b][1]benzoborole
PubChem CID163977503
Molecular FormulaC14H13B
Molecular Weight192.07 g/mol
Exact Mass192.11
IUPAC Name5-methyl-10H-cyclohepta[b][1]benzoborole
SMILESCB1C2=C(CC=CC=C2)c2ccccc21
InChIInChI=1S/C14H13B/c1-15-13-9-4-2-3-7-11(13)12-8-5-6-10-14(12)15/h2-6,8-10H,7H2,1H3
InChIKeySVLXRHUBSHJLNL-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 52.84
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

10-(methoxymethyl)-5,10-dihydrobenzo[a]azulene
CID 142274275
5-methylbenzo[b][1]benzoborole;nonane
CID 91219394
5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline
CID 143515929
2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
CID 141109666
cyclohexa-2,4-dien-1-one;octahydrate
CID 175148606
cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
anthracene;cyclohexa-2,4-dien-1-one
CID 174866475
10-phenyl-4H-anthracen-9-one
CID 173121655
1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
CID 145066203
1-phenyl-2-(2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 174368476
cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium
CID 163672631
9-ethyl-1H-fluorene;methane
CID 142105135

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10H-cyclohepta[b][1]benzoborole?
The IUPAC name of 5-methyl-10H-cyclohepta[b][1]benzoborole (CID 163977503) is 5-methyl-10H-cyclohepta[b][1]benzoborole.
What is the SMILES notation for 5-methyl-10H-cyclohepta[b][1]benzoborole?
The canonical SMILES for 5-methyl-10H-cyclohepta[b][1]benzoborole is CB1C2=C(CC=CC=C2)c2ccccc21.
What is the InChIKey of 5-methyl-10H-cyclohepta[b][1]benzoborole?
The InChIKey is SVLXRHUBSHJLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13B/c1-15-13-9-4-2-3-7-11(13)12-8-5-6-10-14(12)15/h2-6,8-10H,7H2,1H3.
What are the key properties of 5-methyl-10H-cyclohepta[b][1]benzoborole?
5-methyl-10H-cyclohepta[b][1]benzoborole has a molecular weight of 192.07 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10H-cyclohepta[b][1]benzoborole is sourced from PubChem (CID 163977503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).