1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone

C21H21NO2 — CID 11336158

IUPAC1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone
SMILESCOc1cc2c(c3c1cc(C(C)=O)n3Cc1ccccc1)CCC2
InChIInChI=1S/C21H21NO2/c1-14(23)19-12-18-20(24-2)11-16-9-6-10-17(16)21(18)22(19)13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3
InChIKeyGVKZMWOUBGXPBQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.39
Rot. Bonds4

About 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone

1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone (PubChem CID 11336158) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone
PubChem CID11336158
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone
SMILESCOc1cc2c(c3c1cc(C(C)=O)n3Cc1ccccc1)CCC2
InChIInChI=1S/C21H21NO2/c1-14(23)19-12-18-20(24-2)11-16-9-6-10-17(16)21(18)22(19)13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3
InChIKeyGVKZMWOUBGXPBQ-UHFFFAOYSA-N
XLogP4.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzyl-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl)oxy]acetic acid
CID 22268689
1-[(2-bromophenyl)methyl]-4-methoxy-2-methyl-7,8-dihydro-6H-cyclopenta[g]indole;ethane
CID 142148788
2-[(3-acetyl-1-benzyl-2-methyl-6,7,8,9-tetrahydrobenzo[g]indol-4-yl)oxy]acetic acid;formamide
CID 142148716
methyl 2-[[1-[(4-fluorophenyl)methyl]-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-yl]oxy]acetate
CID 11474082
N-benzyl-2-ethenyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-amine;propan-2-one
CID 142148734
methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate
CID 25140716
6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
CID 131848742
22-benzyl-5,8-dihydroxy-12-methoxy-22-azapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1,4,6,8,11,13,15(20)-heptaene-3,10,21-trione
CID 10624592
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
CID 163828161
1-(7-benzyl-2,4-dichloropyrrolo[2,3-d]pyrimidin-6-yl)ethanone
CID 146171822
methyl 2-[[7-(3-amino-3-oxoprop-1-en-2-yl)-11-benzyl-1,2,3,4-tetrahydrobenzo[a]carbazol-6-yl]oxy]acetate
CID 20769050
2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 28806

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone?
The IUPAC name of 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone (CID 11336158) is 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone is COc1cc2c(c3c1cc(C(C)=O)n3Cc1ccccc1)CCC2.
What is the InChIKey of 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone?
The InChIKey is GVKZMWOUBGXPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14(23)19-12-18-20(24-2)11-16-9-6-10-17(16)21(18)22(19)13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3.
What are the key properties of 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone?
1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone has a molecular weight of 319.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4-methoxy-7,8-dihydro-6H-cyclopenta[g]indol-2-yl)ethanone is sourced from PubChem (CID 11336158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).