7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone

C21H18N4O — CID 175705264

IUPAC7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone
SMILESO=C(c1cc2c3c(ccc2[nH]1)NCC3)N1CCc2c1ccc1[nH]ccc21
InChIInChI=1S/C21H18N4O/c26-21(19-11-15-13-6-9-22-16(13)1-2-18(15)24-19)25-10-7-14-12-5-8-23-17(12)3-4-20(14)25/h1-5,8,11,22-24H,6-7,9-10H2
InChIKeyFGUKIKBWBSFTLJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.82
Rot. Bonds1

About 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone

7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone (PubChem CID 175705264) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone
PubChem CID175705264
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone
SMILESO=C(c1cc2c3c(ccc2[nH]1)NCC3)N1CCc2c1ccc1[nH]ccc21
InChIInChI=1S/C21H18N4O/c26-21(19-11-15-13-6-9-22-16(13)1-2-18(15)24-19)25-10-7-14-12-5-8-23-17(12)3-4-20(14)25/h1-5,8,11,22-24H,6-7,9-10H2
InChIKeyFGUKIKBWBSFTLJ-UHFFFAOYSA-N
XLogP3.82
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Arcyriarubin A
CID 2399
N-(1H-indol-5-yl)benzamide
CID 2814138
2-[2-(1H-indol-3-yl)ethyl]-1H-Isoindole-1,3(2H)-dione
CID 288577
Cyclo-(L-Trp-L-Trp)
CID 7091706
GR 94800
CID 5487475
c[L-Ala-D-pro-L-Phe-D-trp]
CID 44583393
Bisindolylmaleimide III
CID 2398
Sar115740
CID 53316382
bisindolylmaleimide II
CID 2397
Bisindolylmaleimide VII
CID 2402
3-(5-amino-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327672

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone?
The IUPAC name of 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone (CID 175705264) is 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone.
What is the SMILES notation for 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone?
The canonical SMILES for 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone is O=C(c1cc2c3c(ccc2[nH]1)NCC3)N1CCc2c1ccc1[nH]ccc21.
What is the InChIKey of 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone?
The InChIKey is FGUKIKBWBSFTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(19-11-15-13-6-9-22-16(13)1-2-18(15)24-19)25-10-7-14-12-5-8-23-17(12)3-4-20(14)25/h1-5,8,11,22-24H,6-7,9-10H2.
What are the key properties of 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone?
7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 3.82, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone is sourced from PubChem (CID 175705264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).