(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one

C14H15NO2 — CID 10376523

IUPAC(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
SMILESC[C@@H]1OC(=O)CC[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C14H15NO2/c1-9-10(6-7-14(16)17-9)12-8-15-13-5-3-2-4-11(12)13/h2-5,8-10,15H,6-7H2,1H3/t9-,10+/m0/s1
InChIKeySTDZDGNHQBQQGD-VHSXEESVSA-N
MW229.28 g/mol
LogP2.98
Rot. Bonds1

About (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one

(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one (PubChem CID 10376523) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one.

Molecular Properties

Compound Name(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
PubChem CID10376523
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
SMILESC[C@@H]1OC(=O)CC[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C14H15NO2/c1-9-10(6-7-14(16)17-9)12-8-15-13-5-3-2-4-11(12)13/h2-5,8-10,15H,6-7H2,1H3/t9-,10+/m0/s1
InChIKeySTDZDGNHQBQQGD-VHSXEESVSA-N
XLogP2.98
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde
CID 174583478
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
CID 36690022
3-(3-methylpiperazin-2-yl)-1H-indole
CID 116829242
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-(oxolan-3-yl)-1H-indole
CID 146673552
4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
CID 112742433
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
methane;3-piperidin-4-yl-1H-indole
CID 70444570

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one?
The IUPAC name of (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one (CID 10376523) is (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one.
What is the SMILES notation for (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one?
The canonical SMILES for (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one is C[C@@H]1OC(=O)CC[C@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one?
The InChIKey is STDZDGNHQBQQGD-VHSXEESVSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-10(6-7-14(16)17-9)12-8-15-13-5-3-2-4-11(12)13/h2-5,8-10,15H,6-7H2,1H3/t9-,10+/m0/s1.
What are the key properties of (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one?
(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one is sourced from PubChem (CID 10376523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).