2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol

C30H38N2O2 — CID 149131412

IUPAC2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol
SMILESC/C(=C1\N(C)c2ccccc2C1(C)C)C1C(O)C(/C(C)=C2/N(C)c3ccccc3C2(C)C)C1O
InChIInChI=1S/C30H38N2O2/c1-17(27-29(3,4)19-13-9-11-15-21(19)31(27)7)23-25(33)24(26(23)34)18(2)28-30(5,6)20-14-10-12-16-22(20)32(28)8/h9-16,23-26,33-34H,1-8H3/b27-17+,28-18+
InChIKeyGDOAHNAGJSPDTG-XUIWWLCJSA-N
MW458.65 g/mol
LogP5.36
Rot. Bonds2

About 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol

2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol (PubChem CID 149131412) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol.

Molecular Properties

Compound Name2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol
PubChem CID149131412
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol
SMILESC/C(=C1\N(C)c2ccccc2C1(C)C)C1C(O)C(/C(C)=C2/N(C)c3ccccc3C2(C)C)C1O
InChIInChI=1S/C30H38N2O2/c1-17(27-29(3,4)19-13-9-11-15-21(19)31(27)7)23-25(33)24(26(23)34)18(2)28-30(5,6)20-14-10-12-16-22(20)32(28)8/h9-16,23-26,33-34H,1-8H3/b27-17+,28-18+
InChIKeyGDOAHNAGJSPDTG-XUIWWLCJSA-N
XLogP5.36
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol with MolForge

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Related Compounds

(2E)-2-(1,3,3-trimethylindol-2-ylidene)propanenitrile
CID 14170385
9,9,10-trimethylacridine
CID 610451
2-[1-(2-ethyl-2,3-dihydroindol-1-ium-1-ylidene)propan-2-ylidene]-1,3,3-trimethylindole
CID 59050858
(E,2Z,5Z)-5-(4-hydroxy-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)-2-(1,3,3-trimethylindol-2-ylidene)pent-3-enenitrile
CID 25156263
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
1,3,3-trimethyl-2-methylideneindole
CID 58330766
(9,9,10-trimethylacridin-2-yl)boronic acid
CID 161441175
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
2-[2-cyano-2-(1,3,3-trimethylindol-2-ylidene)acetyl]oxyethyl 2-methylprop-2-enoate
CID 76619861
2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
CID 15508580

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol?
The IUPAC name of 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol (CID 149131412) is 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol.
What is the SMILES notation for 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol?
The canonical SMILES for 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol is C/C(=C1\N(C)c2ccccc2C1(C)C)C1C(O)C(/C(C)=C2/N(C)c3ccccc3C2(C)C)C1O.
What is the InChIKey of 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol?
The InChIKey is GDOAHNAGJSPDTG-XUIWWLCJSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-17(27-29(3,4)19-13-9-11-15-21(19)31(27)7)23-25(33)24(26(23)34)18(2)28-30(5,6)20-14-10-12-16-22(20)32(28)8/h9-16,23-26,33-34H,1-8H3/b27-17+,28-18+.
What are the key properties of 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol?
2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol has a molecular weight of 458.65 g/mol, XLogP of 5.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(1E)-1-(1,3,3-trimethylindol-2-ylidene)ethyl]cyclobutane-1,3-diol is sourced from PubChem (CID 149131412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).