(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone

C20H19NO2 — CID 122219331

IUPAC(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2c3n(c4ccccc24)CC[C@H]3C)cc1
InChIInChI=1S/C20H19NO2/c1-13-11-12-21-17-6-4-3-5-16(17)18(19(13)21)20(22)14-7-9-15(23-2)10-8-14/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyFDHZKTGOCUNATF-CYBMUJFWSA-N
MW305.38 g/mol
LogP4.39
Rot. Bonds3

About (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone

(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone (PubChem CID 122219331) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
PubChem CID122219331
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2c3n(c4ccccc24)CC[C@H]3C)cc1
InChIInChI=1S/C20H19NO2/c1-13-11-12-21-17-6-4-3-5-16(17)18(19(13)21)20(22)14-7-9-15(23-2)10-8-14/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyFDHZKTGOCUNATF-CYBMUJFWSA-N
XLogP4.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219335
[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
CID 15015514
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968777
(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 15169782
(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
CID 15015511
(4-methoxyphenyl)-[2-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968741
4-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-3,3-dimethyl-1,2-dihydroimidazo[1,2-a]indol-3-ium
CID 23766699
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
(4-methoxyphenyl)-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]methanone
CID 3771354
2-(4-methoxybenzoyl)-1-methylsulfonylindole-3-carbaldehyde
CID 10689676
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone (CID 122219331) is (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone is COc1ccc(C(=O)c2c3n(c4ccccc24)CC[C@H]3C)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
The InChIKey is FDHZKTGOCUNATF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-11-12-21-17-6-4-3-5-16(17)18(19(13)21)20(22)14-7-9-15(23-2)10-8-14/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone?
(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone is sourced from PubChem (CID 122219331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).