5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one

C15H21NOS — CID 90360336

IUPAC5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one
SMILESC=C1c2cscc2C(=O)N1CC(CC)CCCC
InChIInChI=1S/C15H21NOS/c1-4-6-7-12(5-2)8-16-11(3)13-9-18-10-14(13)15(16)17/h9-10,12H,3-8H2,1-2H3
InChIKeyOBOXVDDYIOISDG-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.39
Rot. Bonds6

About 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one

5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one (PubChem CID 90360336) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one
PubChem CID90360336
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one
SMILESC=C1c2cscc2C(=O)N1CC(CC)CCCC
InChIInChI=1S/C15H21NOS/c1-4-6-7-12(5-2)8-16-11(3)13-9-18-10-14(13)15(16)17/h9-10,12H,3-8H2,1-2H3
InChIKeyOBOXVDDYIOISDG-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione
CID 102293952
2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985
7,22-bis(2-ethylhexyl)-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 58212311
11,14,22,26-tetrachloro-7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 59194256
6-(2-ethylhexyl)-13-[3-[13-(2-ethylhexyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 132938430
6-(2-ethylhexyl)-13-(2-methylbutyl)-7,14-bis(sulfanylidene)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,12-dione;6-(2-ethylhexyl)-13-(2-methylbutyl)-14-sulfanylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12-trione
CID 123611859
2,3,9,10-tetrabromo-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 70653710
(1S,2R,6R,7R)-4-[(2S)-2-ethylhexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99937750
(1R,7S)-4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25141463
2-(2-ethylhexyl)-6-sulfanylbenzo[de]isoquinoline-1,3-dione
CID 126632900
CID 89197009
CID 89197009

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one?
The IUPAC name of 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one (CID 90360336) is 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one.
What is the SMILES notation for 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one?
The canonical SMILES for 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one is C=C1c2cscc2C(=O)N1CC(CC)CCCC.
What is the InChIKey of 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one?
The InChIKey is OBOXVDDYIOISDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-4-6-7-12(5-2)8-16-11(3)13-9-18-10-14(13)15(16)17/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one?
5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one has a molecular weight of 263.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one is sourced from PubChem (CID 90360336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).