2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole

C22H23N — CID 142430269

IUPAC2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1cc(CC)ccc1C
InChIInChI=1S/C22H23N/c1-5-10-18-19-11-8-9-12-21(19)23(20(18)7-3)22-15-17(6-2)14-13-16(22)4/h5,7-15H,3,6H2,1-2,4H3/b10-5-
InChIKeyLCYKGWQBRRTEIU-YHYXMXQVSA-N
MW301.43 g/mol
LogP6.18
Rot. Bonds4

About 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole

2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole (PubChem CID 142430269) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Name2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
PubChem CID142430269
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1cc(CC)ccc1C
InChIInChI=1S/C22H23N/c1-5-10-18-19-11-8-9-12-21(19)23(20(18)7-3)22-15-17(6-2)14-13-16(22)4/h5,7-15H,3,6H2,1-2,4H3/b10-5-
InChIKeyLCYKGWQBRRTEIU-YHYXMXQVSA-N
XLogP6.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
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
2-methyl-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 144585528
9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole
CID 144585554
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-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine
CID 144568571
2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
CID 155470797
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole?
The IUPAC name of 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole (CID 142430269) is 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole?
The canonical SMILES for 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole is C=Cc1c(/C=C\C)c2ccccc2n1-c1cc(CC)ccc1C.
What is the InChIKey of 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole?
The InChIKey is LCYKGWQBRRTEIU-YHYXMXQVSA-N. The full InChI is InChI=1S/C22H23N/c1-5-10-18-19-11-8-9-12-21(19)23(20(18)7-3)22-15-17(6-2)14-13-16(22)4/h5,7-15H,3,6H2,1-2,4H3/b10-5-.
What are the key properties of 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole?
2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole has a molecular weight of 301.43 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 142430269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).