2,4-dimethyl-1-phenyl-3-prop-1-enylindole

C19H19N — CID 123318372

IUPAC2,4-dimethyl-1-phenyl-3-prop-1-enylindole
SMILESCC=Cc1c(C)n(-c2ccccc2)c2cccc(C)c12
InChIInChI=1S/C19H19N/c1-4-9-17-15(3)20(16-11-6-5-7-12-16)18-13-8-10-14(2)19(17)18/h4-13H,1-3H3
InChIKeyDEIPVTXPFXHXTA-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.28
Rot. Bonds2

About 2,4-dimethyl-1-phenyl-3-prop-1-enylindole

2,4-dimethyl-1-phenyl-3-prop-1-enylindole (PubChem CID 123318372) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,4-dimethyl-1-phenyl-3-prop-1-enylindole.

Molecular Properties

Compound Name2,4-dimethyl-1-phenyl-3-prop-1-enylindole
PubChem CID123318372
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2,4-dimethyl-1-phenyl-3-prop-1-enylindole
SMILESCC=Cc1c(C)n(-c2ccccc2)c2cccc(C)c12
InChIInChI=1S/C19H19N/c1-4-9-17-15(3)20(16-11-6-5-7-12-16)18-13-8-10-14(2)19(17)18/h4-13H,1-3H3
InChIKeyDEIPVTXPFXHXTA-UHFFFAOYSA-N
XLogP5.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole
CID 122678080
ethene;2-methyl-N,1-diphenyl-3-[(Z)-prop-1-enyl]indol-5-amine
CID 143402088
2-methyl-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 144585528
8-[3-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 145004235
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene
CID 158058919
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
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
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
9-[4-[(E)-prop-1-enyl]phenyl]carbazole
CID 58370912
(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene
CID 170381836

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-phenyl-3-prop-1-enylindole?
The IUPAC name of 2,4-dimethyl-1-phenyl-3-prop-1-enylindole (CID 123318372) is 2,4-dimethyl-1-phenyl-3-prop-1-enylindole.
What is the SMILES notation for 2,4-dimethyl-1-phenyl-3-prop-1-enylindole?
The canonical SMILES for 2,4-dimethyl-1-phenyl-3-prop-1-enylindole is CC=Cc1c(C)n(-c2ccccc2)c2cccc(C)c12.
What is the InChIKey of 2,4-dimethyl-1-phenyl-3-prop-1-enylindole?
The InChIKey is DEIPVTXPFXHXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-4-9-17-15(3)20(16-11-6-5-7-12-16)18-13-8-10-14(2)19(17)18/h4-13H,1-3H3.
What are the key properties of 2,4-dimethyl-1-phenyl-3-prop-1-enylindole?
2,4-dimethyl-1-phenyl-3-prop-1-enylindole has a molecular weight of 261.37 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-phenyl-3-prop-1-enylindole is sourced from PubChem (CID 123318372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).