[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid

C19H18BNO2 — CID 167453480

IUPAC[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(B(O)O)cc1
InChIInChI=1S/C19H18BNO2/c1-3-7-16-17-8-5-6-9-19(17)21(18(16)4-2)15-12-10-14(11-13-15)20(22)23/h3-13,22-23H,2H2,1H3/b7-3-
InChIKeyRNGIZIYNZKLIDI-CLTKARDFSA-N
MW303.17 g/mol
LogP2.99
Rot. Bonds4

About [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid

[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid (PubChem CID 167453480) has the molecular formula C19H18BNO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
PubChem CID167453480
Molecular FormulaC19H18BNO2
Molecular Weight303.17 g/mol
Exact Mass303.14
IUPAC Name[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(B(O)O)cc1
InChIInChI=1S/C19H18BNO2/c1-3-7-16-17-8-5-6-9-19(17)21(18(16)4-2)15-12-10-14(11-13-15)20(22)23/h3-13,22-23H,2H2,1H3/b7-3-
InChIKeyRNGIZIYNZKLIDI-CLTKARDFSA-N
XLogP2.99
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 144604962
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
ethane;3-[2-ethenyl-1-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-phenylcarbazole
CID 177063270
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
CID 143438004
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299

Frequently Asked Questions

What is the IUPAC name of [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid?
The IUPAC name of [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid (CID 167453480) is [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid.
What is the SMILES notation for [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid?
The canonical SMILES for [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid is C=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(B(O)O)cc1.
What is the InChIKey of [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid?
The InChIKey is RNGIZIYNZKLIDI-CLTKARDFSA-N. The full InChI is InChI=1S/C19H18BNO2/c1-3-7-16-17-8-5-6-9-19(17)21(18(16)4-2)15-12-10-14(11-13-15)20(22)23/h3-13,22-23H,2H2,1H3/b7-3-.
What are the key properties of [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid?
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid has a molecular weight of 303.17 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid is sourced from PubChem (CID 167453480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).