1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one

C13H17NO — CID 115105745

IUPAC1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one
SMILESCCN1CCc2ccc(CC(C)=O)cc21
InChIInChI=1S/C13H17NO/c1-3-14-7-6-12-5-4-11(8-10(2)15)9-13(12)14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyBTMOUFDDVIFNCC-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.20
Rot. Bonds3

About 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one

1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one (PubChem CID 115105745) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one
PubChem CID115105745
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one
SMILESCCN1CCc2ccc(CC(C)=O)cc21
InChIInChI=1S/C13H17NO/c1-3-14-7-6-12-5-4-11(8-10(2)15)9-13(12)14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyBTMOUFDDVIFNCC-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid
CID 115105873
1-ethyl-2,3-dihydroindol-6-ol
CID 23082698
1-ethyl-N,N-dimethyl-2,3-dihydroindole-6-carboxamide
CID 144672537
ethyl 7-(2-oxopropyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58494890
1-ethyl-2,3-dihydroindole-6-sulfonyl chloride
CID 55279318
2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 121204232
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole
CID 118231275
3-[6-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid
CID 121204257
[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105768
methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
CID 170884528
2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid
CID 166305840

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one?
The IUPAC name of 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one (CID 115105745) is 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one?
The canonical SMILES for 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one is CCN1CCc2ccc(CC(C)=O)cc21.
What is the InChIKey of 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one?
The InChIKey is BTMOUFDDVIFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-14-7-6-12-5-4-11(8-10(2)15)9-13(12)14/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one?
1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one is sourced from PubChem (CID 115105745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).