1-methyl-2-benzoborinine;propane

C13H17B — CID 143292274

IUPAC1-methyl-2-benzoborinine;propane
SMILESCCC.Cc1bccc2ccccc12
InChIInChI=1S/C10H9B.C3H8/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-3-2/h2-7H,1H3;3H2,1-2H3
InChIKeyYPAIBQNKGOCFLH-UHFFFAOYSA-N
MW184.09 g/mol
LogP3.90
Rot. Bonds

About 1-methyl-2-benzoborinine;propane

1-methyl-2-benzoborinine;propane (PubChem CID 143292274) has the molecular formula C13H17B and a molecular weight of 184.09 g/mol. Its IUPAC name is 1-methyl-2-benzoborinine;propane.

Molecular Properties

Compound Name1-methyl-2-benzoborinine;propane
PubChem CID143292274
Molecular FormulaC13H17B
Molecular Weight184.09 g/mol
Exact Mass184.14
IUPAC Name1-methyl-2-benzoborinine;propane
SMILESCCC.Cc1bccc2ccccc12
InChIInChI=1S/C10H9B.C3H8/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-3-2/h2-7H,1H3;3H2,1-2H3
InChIKeyYPAIBQNKGOCFLH-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-benzoborinine
CID 143292275
ethane;naphthalene;propane
CID 158972865
ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
1,3-dimethyl-2-benzoborinine
CID 163623590
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
acetylene;ethane;1-methylnaphthalene
CID 167495690
ethane;methane;phenanthrene
CID 144939263
benzene;methanol;naphthalene;propane
CID 159585555
ethane;methane;phenanthrene
CID 144938954
ethane;naphthalene;propane;toluene
CID 91119516
ethane;naphthalene;propane;toluene
CID 159937735

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-benzoborinine;propane?
The IUPAC name of 1-methyl-2-benzoborinine;propane (CID 143292274) is 1-methyl-2-benzoborinine;propane.
What is the SMILES notation for 1-methyl-2-benzoborinine;propane?
The canonical SMILES for 1-methyl-2-benzoborinine;propane is CCC.Cc1bccc2ccccc12.
What is the InChIKey of 1-methyl-2-benzoborinine;propane?
The InChIKey is YPAIBQNKGOCFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9B.C3H8/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-3-2/h2-7H,1H3;3H2,1-2H3.
What are the key properties of 1-methyl-2-benzoborinine;propane?
1-methyl-2-benzoborinine;propane has a molecular weight of 184.09 g/mol, XLogP of 3.90, 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;propane is sourced from PubChem (CID 143292274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).