1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole

C19H15NS — CID 167223352

IUPAC1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole
SMILESC=Cc1c(/C=C\C)[nH]c2ccc3c4ccccc4sc3c12
InChIInChI=1S/C19H15NS/c1-3-7-15-12(4-2)18-16(20-15)11-10-14-13-8-5-6-9-17(13)21-19(14)18/h3-11,20H,2H2,1H3/b7-3-
InChIKeySDVUWJQFZUAMBH-CLTKARDFSA-N
MW289.40 g/mol
LogP6.21
Rot. Bonds2

About 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole

1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole (PubChem CID 167223352) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole.

Molecular Properties

Compound Name1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole
PubChem CID167223352
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole
SMILESC=Cc1c(/C=C\C)[nH]c2ccc3c4ccccc4sc3c12
InChIInChI=1S/C19H15NS/c1-3-7-15-12(4-2)18-16(20-15)11-10-14-13-8-5-6-9-17(13)21-19(14)18/h3-11,20H,2H2,1H3/b7-3-
InChIKeySDVUWJQFZUAMBH-CLTKARDFSA-N
XLogP6.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(Z)-but-1-enyl]-3-ethenyl-1H-[1]benzothiolo[3,2-g]indole
CID 167223610
ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole
CID 144512484
ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole
CID 144821210
7-[(E)-prop-1-enyl]-15-thia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene
CID 146554586
2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
CID 71234830
ethane;[2-ethenyl-1-[(Z)-prop-1-enyl]dibenzothiophen-3-yl]boronic acid
CID 145148588
3-ethenyl-2-[(Z)-prop-1-enyl]-6H-furo[3,2-c]carbazole
CID 145021144
ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
CID 143318864
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
6,23,40-trithia-3,20,37-triazatridecacyclo[34.15.0.02,18.04,16.05,13.07,12.019,35.021,33.022,30.024,29.038,50.039,47.041,46]henpentaconta-1,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31,35,38(50),39(47),41,43,45,48-henicosaene-17,34,51-trione
CID 142384503
9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 159913663

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole?
The IUPAC name of 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole (CID 167223352) is 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole.
What is the SMILES notation for 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole?
The canonical SMILES for 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole is C=Cc1c(/C=C\C)[nH]c2ccc3c4ccccc4sc3c12.
What is the InChIKey of 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole?
The InChIKey is SDVUWJQFZUAMBH-CLTKARDFSA-N. The full InChI is InChI=1S/C19H15NS/c1-3-7-15-12(4-2)18-16(20-15)11-10-14-13-8-5-6-9-17(13)21-19(14)18/h3-11,20H,2H2,1H3/b7-3-.
What are the key properties of 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole?
1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole has a molecular weight of 289.40 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole is sourced from PubChem (CID 167223352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).