6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole

C17H16N2 — CID 130972580

IUPAC6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole
SMILESc1ccc(CN2Cc3cc4cc[nH]c4cc3C2)cc1
InChIInChI=1S/C17H16N2/c1-2-4-13(5-3-1)10-19-11-15-8-14-6-7-18-17(14)9-16(15)12-19/h1-9,18H,10-12H2
InChIKeyJAZHPBHWNBCUIO-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.68
Rot. Bonds2

About 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole

6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole (PubChem CID 130972580) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole.

Molecular Properties

Compound Name6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole
PubChem CID130972580
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole
SMILESc1ccc(CN2Cc3cc4cc[nH]c4cc3C2)cc1
InChIInChI=1S/C17H16N2/c1-2-4-13(5-3-1)10-19-11-15-8-14-6-7-18-17(14)9-16(15)12-19/h1-9,18H,10-12H2
InChIKeyJAZHPBHWNBCUIO-UHFFFAOYSA-N
XLogP3.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
CID 174880167
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 154963782
1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol
CID 123222575
6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
CID 146160543
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 110202451
5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
CID 66865500
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-1,3-diazetidine
CID 67702530

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole?
The IUPAC name of 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole (CID 130972580) is 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole.
What is the SMILES notation for 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole?
The canonical SMILES for 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole is c1ccc(CN2Cc3cc4cc[nH]c4cc3C2)cc1.
What is the InChIKey of 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole?
The InChIKey is JAZHPBHWNBCUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-4-13(5-3-1)10-19-11-15-8-14-6-7-18-17(14)9-16(15)12-19/h1-9,18H,10-12H2.
What are the key properties of 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole?
6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole has a molecular weight of 248.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole is sourced from PubChem (CID 130972580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).