1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one

C14H19NO — CID 117201853

IUPAC1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one
SMILESCCN1CC(CC(C)=O)c2cc(C)ccc21
InChIInChI=1S/C14H19NO/c1-4-15-9-12(8-11(3)16)13-7-10(2)5-6-14(13)15/h5-7,12H,4,8-9H2,1-3H3
InChIKeyVOFXBHVXPIJWHZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.90
Rot. Bonds3

About 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one

1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one (PubChem CID 117201853) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one
PubChem CID117201853
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one
SMILESCCN1CC(CC(C)=O)c2cc(C)ccc21
InChIInChI=1S/C14H19NO/c1-4-15-9-12(8-11(3)16)13-7-10(2)5-6-14(13)15/h5-7,12H,4,8-9H2,1-3H3
InChIKeyVOFXBHVXPIJWHZ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole
CID 83960227
2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117201885
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117201867
2-(5-methyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)acetic acid
CID 82501940
1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 115106375
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
CID 117202604
1-ethyl-5-hydroxy-2,3-dihydroindole-3-carbaldehyde
CID 117202549
3-benzyl-1,5-dimethyl-2,3-dihydroindole
CID 83960221
1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 117201707
3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202272
2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82276720

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The IUPAC name of 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one (CID 117201853) is 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The canonical SMILES for 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one is CCN1CC(CC(C)=O)c2cc(C)ccc21.
What is the InChIKey of 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one?
The InChIKey is VOFXBHVXPIJWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-15-9-12(8-11(3)16)13-7-10(2)5-6-14(13)15/h5-7,12H,4,8-9H2,1-3H3.
What are the key properties of 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one?
1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one is sourced from PubChem (CID 117201853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).