[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone

C15H18N2O2 — CID 166081487

IUPAC[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CC[C@@H](CO)C2)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-16-9-13(12-4-2-3-5-14(12)16)15(19)17-7-6-11(8-17)10-18/h2-5,9,11,18H,6-8,10H2,1H3/t11-/m1/s1
InChIKeyHOZBYBDFAGBGTR-LLVKDONJSA-N
MW258.32 g/mol
LogP1.63
Rot. Bonds2

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

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 166081487) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID166081487
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CC[C@@H](CO)C2)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-16-9-13(12-4-2-3-5-14(12)16)15(19)17-7-6-11(8-17)10-18/h2-5,9,11,18H,6-8,10H2,1H3/t11-/m1/s1
InChIKeyHOZBYBDFAGBGTR-LLVKDONJSA-N
XLogP1.63
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 154576429
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
2-cyclopentyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]acetamide
CID 126792582
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 75258654

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone (CID 166081487) is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CC[C@@H](CO)C2)c2ccccc21.
What is the InChIKey of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is HOZBYBDFAGBGTR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-9-13(12-4-2-3-5-14(12)16)15(19)17-7-6-11(8-17)10-18/h2-5,9,11,18H,6-8,10H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone?
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 166081487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).