1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one

C14H19NO — CID 117202850

IUPAC1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one
SMILESCCN1c2cccc(CC(C)=O)c2CC1C
InChIInChI=1S/C14H19NO/c1-4-15-10(2)8-13-12(9-11(3)16)6-5-7-14(13)15/h5-7,10H,4,8-9H2,1-3H3
InChIKeyLAOIDRGCFRTETJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.59
Rot. Bonds3

About 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one

1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one (PubChem CID 117202850) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one
PubChem CID117202850
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one
SMILESCCN1c2cccc(CC(C)=O)c2CC1C
InChIInChI=1S/C14H19NO/c1-4-15-10(2)8-13-12(9-11(3)16)6-5-7-14(13)15/h5-7,10H,4,8-9H2,1-3H3
InChIKeyLAOIDRGCFRTETJ-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)ethanol
CID 117202836
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
1-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-one
CID 117203881
(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115096618
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one
CID 84785583
(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine
CID 117203939
1-benzyl-2-methyl-2,3-dihydroindol-4-ol
CID 70918044
4-ethyl-1-methyl-2,3-dihydroindol-2-ol
CID 145223584
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 45120188
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993
1-(1,2-dimethyl-2,3-dihydroindol-4-yl)-N-methylmethanamine
CID 117202905

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one?
The IUPAC name of 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one (CID 117202850) is 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one?
The canonical SMILES for 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one is CCN1c2cccc(CC(C)=O)c2CC1C.
What is the InChIKey of 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one?
The InChIKey is LAOIDRGCFRTETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-15-10(2)8-13-12(9-11(3)16)6-5-7-14(13)15/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one?
1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one is sourced from PubChem (CID 117202850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).