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

C26H26N2 — CID 163186349

IUPAC(5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole
SMILESCC(C)=C[C@H]1C[C@](C)(/C=C/c2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21
InChIInChI=1S/C26H26N2/c1-17(2)12-21-16-26(3,23-15-25-20(8-11-28-25)14-22(21)23)9-6-18-4-5-24-19(13-18)7-10-27-24/h4-15,21,27-28H,16H2,1-3H3/b9-6+/t21-,26-/m0/s1
InChIKeyFAQRBHZNMOOHPZ-UZCQPXAQSA-N
MW366.51 g/mol
LogP7.07
Rot. Bonds3

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

(5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole (PubChem CID 163186349) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole.

Molecular Properties

Compound Name(5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole
PubChem CID163186349
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name(5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole
SMILESCC(C)=C[C@H]1C[C@](C)(/C=C/c2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21
InChIInChI=1S/C26H26N2/c1-17(2)12-21-16-26(3,23-15-25-20(8-11-28-25)14-22(21)23)9-6-18-4-5-24-19(13-18)7-10-27-24/h4-15,21,27-28H,16H2,1-3H3/b9-6+/t21-,26-/m0/s1
InChIKeyFAQRBHZNMOOHPZ-UZCQPXAQSA-N
XLogP7.07
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Diindolylmethane
CID 3071
Ellipticine
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(-)-Agroclavine
CID 73484
Festuclavine
CID 332915
6,8-Dimethyl-8,9-didehydroergoline
CID 287403
5-Methyltryptamine
CID 15760
Alx-0646
CID 9860595
5-(3-butylpyrrolidin-3-yl)-1H-indole
CID 25224941
Ellipticine hydrochloride
CID 169532
5-phenyl-1H-indole
CID 11458210
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole?
The IUPAC name of (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole (CID 163186349) is (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole.
What is the SMILES notation for (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole?
The canonical SMILES for (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole is CC(C)=C[C@H]1C[C@](C)(/C=C/c2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21.
What is the InChIKey of (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole?
The InChIKey is FAQRBHZNMOOHPZ-UZCQPXAQSA-N. The full InChI is InChI=1S/C26H26N2/c1-17(2)12-21-16-26(3,23-15-25-20(8-11-28-25)14-22(21)23)9-6-18-4-5-24-19(13-18)7-10-27-24/h4-15,21,27-28H,16H2,1-3H3/b9-6+/t21-,26-/m0/s1.
What are the key properties of (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole?
(5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole has a molecular weight of 366.51 g/mol, XLogP of 7.07, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole is sourced from PubChem (CID 163186349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).