(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone

C18H16N2O2 — CID 138457795

IUPAC(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCc3c2cc(O)c2ccccc32)[nH]1
InChIInChI=1S/C18H16N2O2/c1-11-6-7-15(19-11)18(22)20-9-8-13-12-4-2-3-5-14(12)17(21)10-16(13)20/h2-7,10,19,21H,8-9H2,1H3
InChIKeySVEIYDFEJVNYDJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.38
Rot. Bonds1

About (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone

(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone (PubChem CID 138457795) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone
PubChem CID138457795
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCc3c2cc(O)c2ccccc32)[nH]1
InChIInChI=1S/C18H16N2O2/c1-11-6-7-15(19-11)18(22)20-9-8-13-12-4-2-3-5-14(12)17(21)10-16(13)20/h2-7,10,19,21H,8-9H2,1H3
InChIKeySVEIYDFEJVNYDJ-UHFFFAOYSA-N
XLogP3.38
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-(2-hydroxyethoxy)-6-methoxy-1H-indol-2-yl]methanone
CID 144807026
(1-ethyl-3,3-dimethylcyclobutyl)-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone
CID 138457673
tert-butyl 5-(5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)thiophene-2-carboxylate
CID 123537664
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone
CID 71170206
[5-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1-methylpyrrol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone
CID 138457646
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]methanone
CID 144806949
[5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine
CID 144895313
1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
CID 112834071
methyl 5-hydroxy-3-(5-methoxy-1H-indole-2-carbonyl)-1,2-dihydropyrrolo[3,2-f]quinoline-8-carboxylate
CID 142095448
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
[5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl-methylamino]ethoxy]-1H-indol-2-yl]-(5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indol-3-yl)methanone;chloromethane
CID 177228795
tert-butyl N-[2-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1-benzofuran-5-yl]carbamate
CID 101150077

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone (CID 138457795) is (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone is Cc1ccc(C(=O)N2CCc3c2cc(O)c2ccccc32)[nH]1.
What is the InChIKey of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone?
The InChIKey is SVEIYDFEJVNYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-6-7-15(19-11)18(22)20-9-8-13-12-4-2-3-5-14(12)17(21)10-16(13)20/h2-7,10,19,21H,8-9H2,1H3.
What are the key properties of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone?
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone has a molecular weight of 292.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-(5-methyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 138457795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).