[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone

C14H15NO3 — CID 116922589

IUPAC[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)C2(CO)COC2)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-6-11(10-4-2-3-5-12(10)15)13(17)14(7-16)8-18-9-14/h2-6,16H,7-9H2,1H3
InChIKeyIFIXWYXBCCKZTE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.37
Rot. Bonds3

About [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone

[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone (PubChem CID 116922589) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
PubChem CID116922589
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)C2(CO)COC2)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-6-11(10-4-2-3-5-12(10)15)13(17)14(7-16)8-18-9-14/h2-6,16H,7-9H2,1H3
InChIKeyIFIXWYXBCCKZTE-UHFFFAOYSA-N
XLogP1.37
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid
CID 116920986
(1-methylindol-3-yl)-(1-phenylcyclopropyl)methanone
CID 62877077
[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
CID 14069774
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
1-methylindole-3-carbothioic S-acid
CID 116918837
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921524
2-[4-[(1-methylindole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214944
2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
CID 116872061
N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide
CID 79037076
3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
CID 116872351

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone (CID 116922589) is [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)C2(CO)COC2)c2ccccc21.
What is the InChIKey of [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is IFIXWYXBCCKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-6-11(10-4-2-3-5-12(10)15)13(17)14(7-16)8-18-9-14/h2-6,16H,7-9H2,1H3.
What are the key properties of [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone?
[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 116922589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).