1H-indol-4-yl(dimethyl)borane;molecular hydrogen

C10H14BN — CID 157457845

IUPAC1H-indol-4-yl(dimethyl)borane;molecular hydrogen
SMILESCB(C)c1cccc2[nH]ccc12.[H][H]
InChIInChI=1S/C10H12BN.H2/c1-11(2)9-4-3-5-10-8(9)6-7-12-10;/h3-7,12H,1-2H3;1H
InChIKeyBTONNUFMMAMBFJ-UHFFFAOYSA-N
MW159.04 g/mol
LogP2.38
Rot. Bonds1

About 1H-indol-4-yl(dimethyl)borane;molecular hydrogen

1H-indol-4-yl(dimethyl)borane;molecular hydrogen (PubChem CID 157457845) has the molecular formula C10H14BN and a molecular weight of 159.04 g/mol. Its IUPAC name is 1H-indol-4-yl(dimethyl)borane;molecular hydrogen.

Molecular Properties

Compound Name1H-indol-4-yl(dimethyl)borane;molecular hydrogen
PubChem CID157457845
Molecular FormulaC10H14BN
Molecular Weight159.04 g/mol
Exact Mass159.12
IUPAC Name1H-indol-4-yl(dimethyl)borane;molecular hydrogen
SMILESCB(C)c1cccc2[nH]ccc12.[H][H]
InChIInChI=1S/C10H12BN.H2/c1-11(2)9-4-3-5-10-8(9)6-7-12-10;/h3-7,12H,1-2H3;1H
InChIKeyBTONNUFMMAMBFJ-UHFFFAOYSA-N
XLogP2.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.04
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-indol-4-yl(dimethyl)borane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indol-4-yl(dimethyl)borane
CID 58436931
1H-indol-4-ol
CID 102220556
1H-indol-4-amine;hydrochloride
CID 22461572
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140
4-prop-1-enyl-1H-indole
CID 77378608
4-(1,1-difluoroethyl)-1H-indole
CID 145206515
ethane;1H-indol-4-ylmethanamine
CID 144540106
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-(2-methylbut-2-enyl)-1H-indole
CID 141009102

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl(dimethyl)borane;molecular hydrogen?
The IUPAC name of 1H-indol-4-yl(dimethyl)borane;molecular hydrogen (CID 157457845) is 1H-indol-4-yl(dimethyl)borane;molecular hydrogen.
What is the SMILES notation for 1H-indol-4-yl(dimethyl)borane;molecular hydrogen?
The canonical SMILES for 1H-indol-4-yl(dimethyl)borane;molecular hydrogen is CB(C)c1cccc2[nH]ccc12.[H][H].
What is the InChIKey of 1H-indol-4-yl(dimethyl)borane;molecular hydrogen?
The InChIKey is BTONNUFMMAMBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BN.H2/c1-11(2)9-4-3-5-10-8(9)6-7-12-10;/h3-7,12H,1-2H3;1H.
What are the key properties of 1H-indol-4-yl(dimethyl)borane;molecular hydrogen?
1H-indol-4-yl(dimethyl)borane;molecular hydrogen has a molecular weight of 159.04 g/mol, XLogP of 2.38, 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;molecular hydrogen is sourced from PubChem (CID 157457845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).