1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one

C11H13NO — CID 67580634

IUPAC1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C11H13NO/c1-2-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-6,10,12H,2,7H2,1H3/t10-/m0/s1
InChIKeyZNZAHWFJLNXRFV-JTQLQIEISA-N
MW175.23 g/mol
LogP2.00
Rot. Bonds2

About 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one

1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one (PubChem CID 67580634) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
PubChem CID67580634
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C11H13NO/c1-2-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-6,10,12H,2,7H2,1H3/t10-/m0/s1
InChIKeyZNZAHWFJLNXRFV-JTQLQIEISA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone
CID 116596831
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
CID 159251036
CID 159251036
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
1-(2,3-dihydro-1H-indol-2-yl)-4,4,4-trifluorobutan-1-one
CID 116596983
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
1-(2,3-dihydro-1H-indol-2-yl)-4-methylsulfonylbutan-1-one
CID 116596820
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one
CID 116596816
butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 60903928
N-cyclopropyl-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893036

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one (CID 67580634) is 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one is CCC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one?
The InChIKey is ZNZAHWFJLNXRFV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO/c1-2-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-6,10,12H,2,7H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one?
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one has a molecular weight of 175.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one is sourced from PubChem (CID 67580634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).