1-methyl-2-benzoborinine

C10H9B — CID 143292275

IUPAC1-methyl-2-benzoborinine
SMILESCc1bccc2ccccc12
InChIInChI=1S/C10H9B/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3
InChIKeyWZAVWPREDKPYTJ-UHFFFAOYSA-N
MW139.99 g/mol
LogP2.49
Rot. Bonds

About 1-methyl-2-benzoborinine

1-methyl-2-benzoborinine (PubChem CID 143292275) has the molecular formula C10H9B and a molecular weight of 139.99 g/mol. Its IUPAC name is 1-methyl-2-benzoborinine.

Molecular Properties

Compound Name1-methyl-2-benzoborinine
PubChem CID143292275
Molecular FormulaC10H9B
Molecular Weight139.99 g/mol
Exact Mass140.08
IUPAC Name1-methyl-2-benzoborinine
SMILESCc1bccc2ccccc12
InChIInChI=1S/C10H9B/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3
InChIKeyWZAVWPREDKPYTJ-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.99
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-benzoborinine;propane
CID 143292274
1,3-dimethyl-2-benzoborinine
CID 163623590
acetylene;ethane;1-methylnaphthalene
CID 167495690
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
phenanthrene;toluene
CID 158347700
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
methane;1-methylphenanthrene
CID 175001905
carbonic acid;1-methylnaphthalene
CID 66808059
ethane;1-methylnaphthalene;toluene
CID 91013579

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-benzoborinine?
The IUPAC name of 1-methyl-2-benzoborinine (CID 143292275) is 1-methyl-2-benzoborinine.
What is the SMILES notation for 1-methyl-2-benzoborinine?
The canonical SMILES for 1-methyl-2-benzoborinine is Cc1bccc2ccccc12.
What is the InChIKey of 1-methyl-2-benzoborinine?
The InChIKey is WZAVWPREDKPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9B/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3.
What are the key properties of 1-methyl-2-benzoborinine?
1-methyl-2-benzoborinine has a molecular weight of 139.99 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-benzoborinine is sourced from PubChem (CID 143292275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).