1H-indol-4-yl(dimethyl)borane

C10H12BN — CID 58436931

IUPAC1H-indol-4-yl(dimethyl)borane
SMILESCB(C)c1cccc2[nH]ccc12
InChIInChI=1S/C10H12BN/c1-11(2)9-4-3-5-10-8(9)6-7-12-10/h3-7,12H,1-2H3
InChIKeyWJKMEXRPBLBQGN-UHFFFAOYSA-N
MW157.02 g/mol
LogP2.13
Rot. Bonds1

About 1H-indol-4-yl(dimethyl)borane

1H-indol-4-yl(dimethyl)borane (PubChem CID 58436931) has the molecular formula C10H12BN and a molecular weight of 157.02 g/mol. Its IUPAC name is 1H-indol-4-yl(dimethyl)borane.

Molecular Properties

Compound Name1H-indol-4-yl(dimethyl)borane
PubChem CID58436931
Molecular FormulaC10H12BN
Molecular Weight157.02 g/mol
Exact Mass157.11
IUPAC Name1H-indol-4-yl(dimethyl)borane
SMILESCB(C)c1cccc2[nH]ccc12
InChIInChI=1S/C10H12BN/c1-11(2)9-4-3-5-10-8(9)6-7-12-10/h3-7,12H,1-2H3
InChIKeyWJKMEXRPBLBQGN-UHFFFAOYSA-N
XLogP2.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.02
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-4-yl(dimethyl)borane;molecular hydrogen
CID 157457845
1H-indol-4-ol
CID 102220556
1H-indol-4-amine;hydrochloride
CID 22461572
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140
ethane;1H-indol-4-ylmethanamine
CID 144540106
4-prop-1-enyl-1H-indole
CID 77378608
4-(1,1-difluoroethyl)-1H-indole
CID 145206515
2-(1H-indol-4-yl)-2-methylpropanoic acid
CID 117119069
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
4-(iodomethyl)-1H-indole
CID 143791617
4-bromo-1H-indole;ethane;4-methyl-1H-indole
CID 162234871
4-butan-2-yl-1H-indole;ethane
CID 143835108

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl(dimethyl)borane?
The IUPAC name of 1H-indol-4-yl(dimethyl)borane (CID 58436931) is 1H-indol-4-yl(dimethyl)borane.
What is the SMILES notation for 1H-indol-4-yl(dimethyl)borane?
The canonical SMILES for 1H-indol-4-yl(dimethyl)borane is CB(C)c1cccc2[nH]ccc12.
What is the InChIKey of 1H-indol-4-yl(dimethyl)borane?
The InChIKey is WJKMEXRPBLBQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BN/c1-11(2)9-4-3-5-10-8(9)6-7-12-10/h3-7,12H,1-2H3.
What are the key properties of 1H-indol-4-yl(dimethyl)borane?
1H-indol-4-yl(dimethyl)borane has a molecular weight of 157.02 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl(dimethyl)borane is sourced from PubChem (CID 58436931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).