1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone

C14H15NO — CID 137386102

IUPAC1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone
SMILESC[C@H]1CC1CC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C14H15NO/c1-9-7-11(9)8-13(16)12-4-2-3-10-5-6-15-14(10)12/h2-6,9,11,15H,7-8H2,1H3/t9-,11?/m0/s1
InChIKeyXINBJTNREPDLAR-FTNKSUMCSA-N
MW213.28 g/mol
LogP3.40
Rot. Bonds3

About 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone

1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone (PubChem CID 137386102) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone
PubChem CID137386102
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone
SMILESC[C@H]1CC1CC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C14H15NO/c1-9-7-11(9)8-13(16)12-4-2-3-10-5-6-15-14(10)12/h2-6,9,11,15H,7-8H2,1H3/t9-,11?/m0/s1
InChIKeyXINBJTNREPDLAR-FTNKSUMCSA-N
XLogP3.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone?
The IUPAC name of 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone (CID 137386102) is 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone.
What is the SMILES notation for 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone?
The canonical SMILES for 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone is C[C@H]1CC1CC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone?
The InChIKey is XINBJTNREPDLAR-FTNKSUMCSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-7-11(9)8-13(16)12-4-2-3-10-5-6-15-14(10)12/h2-6,9,11,15H,7-8H2,1H3/t9-,11?/m0/s1.
What are the key properties of 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone?
1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone has a molecular weight of 213.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone is sourced from PubChem (CID 137386102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).