[(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol

C26H26N2O — CID 162820487

IUPAC[(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol
SMILESCC(C)=C[C@@H]1C[C@](/C=C/c2ccc3[nH]ccc3c2)(CO)c2cc3cc[nH]c3cc21
InChIInChI=1S/C26H26N2O/c1-17(2)11-21-15-26(16-29,23-13-20-7-10-28-25(20)14-22(21)23)8-5-18-3-4-24-19(12-18)6-9-27-24/h3-14,21,27-29H,15-16H2,1-2H3/b8-5+/t21-,26-/m1/s1
InChIKeyDQRITVWCETVLHO-KJMHIALPSA-N
MW382.51 g/mol
LogP6.05
Rot. Bonds4

About [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol

[(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol (PubChem CID 162820487) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol.

Molecular Properties

Compound Name[(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol
PubChem CID162820487
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name[(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol
SMILESCC(C)=C[C@@H]1C[C@](/C=C/c2ccc3[nH]ccc3c2)(CO)c2cc3cc[nH]c3cc21
InChIInChI=1S/C26H26N2O/c1-17(2)11-21-15-26(16-29,23-13-20-7-10-28-25(20)14-22(21)23)8-5-18-3-4-24-19(12-18)6-9-27-24/h3-14,21,27-29H,15-16H2,1-2H3/b8-5+/t21-,26-/m1/s1
InChIKeyDQRITVWCETVLHO-KJMHIALPSA-N
XLogP6.05
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol with MolForge

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Related Compounds

(3R,4S)-6-(1H-indol-7-yl)-2,2,4,5,8-pentamethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53322300
3,3-Di(1H-indol-3-yl)propane-1,2-diol
CID 22019312
(3R,4S)-6-(1H-indol-7-yl)-5-[(E)-methoxyiminomethyl]-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53326228
(3R,4S)-5-[(E)-ethoxyiminomethyl]-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53326229
(3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline-5-carbonitrile
CID 53322303
US9682968, Example-5-2
CID 90468038
US9682968, Example-2b(+)
CID 117822670
6H-Pyrido(4,3-b)carbazole, 5-(hydroxymethyl)-11-methyl-
CID 355814
(2S,5R,6R,8aR)-5-(1H-indol-3-ylmethyl)-1,1,5,6-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-2-ol
CID 21602731
1H-Indole-3-heptanol, eta-1H-indol-3-yl-alpha,alpha,epsilon-trimethyl-
CID 106919
[4-(4-Methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol
CID 51360686
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,7,8-pentamethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53318317

Frequently Asked Questions

What is the IUPAC name of [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol?
The IUPAC name of [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol (CID 162820487) is [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol.
What is the SMILES notation for [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol?
The canonical SMILES for [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol is CC(C)=C[C@@H]1C[C@](/C=C/c2ccc3[nH]ccc3c2)(CO)c2cc3cc[nH]c3cc21.
What is the InChIKey of [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol?
The InChIKey is DQRITVWCETVLHO-KJMHIALPSA-N. The full InChI is InChI=1S/C26H26N2O/c1-17(2)11-21-15-26(16-29,23-13-20-7-10-28-25(20)14-22(21)23)8-5-18-3-4-24-19(12-18)6-9-27-24/h3-14,21,27-29H,15-16H2,1-2H3/b8-5+/t21-,26-/m1/s1.
What are the key properties of [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol?
[(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol has a molecular weight of 382.51 g/mol, XLogP of 6.05, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7S)-5-[(E)-2-(1H-indol-5-yl)ethenyl]-7-(2-methylprop-1-enyl)-6,7-dihydro-1H-cyclopenta[f]indol-5-yl]methanol is sourced from PubChem (CID 162820487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).