2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone

C17H24N2O — CID 77064458

IUPAC2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2Cc3ccccc3N2)CC1
InChIInChI=1S/C17H24N2O/c1-17(2)8-5-10-19(11-9-17)16(20)15-12-13-6-3-4-7-14(13)18-15/h3-4,6-7,15,18H,5,8-12H2,1-2H3
InChIKeyRRKBWOMDCKBTKX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.06
Rot. Bonds1

About 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone

2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone (PubChem CID 77064458) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
PubChem CID77064458
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2Cc3ccccc3N2)CC1
InChIInChI=1S/C17H24N2O/c1-17(2)8-5-10-19(11-9-17)16(20)15-12-13-6-3-4-7-14(13)18-15/h3-4,6-7,15,18H,5,8-12H2,1-2H3
InChIKeyRRKBWOMDCKBTKX-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
8-azaspiro[4.5]decan-8-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 76986786
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 55153900
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318302
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120630609

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone (CID 77064458) is 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone is CC1(C)CCCN(C(=O)C2Cc3ccccc3N2)CC1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone?
The InChIKey is RRKBWOMDCKBTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2)8-5-10-19(11-9-17)16(20)15-12-13-6-3-4-7-14(13)18-15/h3-4,6-7,15,18H,5,8-12H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone?
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 77064458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).