(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone

C14H16N2O2 — CID 112530732

IUPAC(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
SMILESCn1ccc2ccc(C(=O)N3CCC(O)C3)cc21
InChIInChI=1S/C14H16N2O2/c1-15-6-4-10-2-3-11(8-13(10)15)14(18)16-7-5-12(17)9-16/h2-4,6,8,12,17H,5,7,9H2,1H3
InChIKeyAYSQEJMRZGAKED-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.39
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone

(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone (PubChem CID 112530732) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
PubChem CID112530732
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
SMILESCn1ccc2ccc(C(=O)N3CCC(O)C3)cc21
InChIInChI=1S/C14H16N2O2/c1-15-6-4-10-2-3-11(8-13(10)15)14(18)16-7-5-12(17)9-16/h2-4,6,8,12,17H,5,7,9H2,1H3
InChIKeyAYSQEJMRZGAKED-UHFFFAOYSA-N
XLogP1.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
CID 112530856
[(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(1-methylindol-6-yl)methanone
CID 118768174
(1-methylindol-6-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 51972804
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methyl-4-propan-2-ylphenyl)methanone
CID 58969991
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(4aS,8aS)-1-methyl-7-(1-methylindole-6-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135099113
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-methylindol-5-yl)methanone
CID 131690274
[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 136581636

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone (CID 112530732) is (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone is Cn1ccc2ccc(C(=O)N3CCC(O)C3)cc21.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone?
The InChIKey is AYSQEJMRZGAKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-6-4-10-2-3-11(8-13(10)15)14(18)16-7-5-12(17)9-16/h2-4,6,8,12,17H,5,7,9H2,1H3.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone?
(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone is sourced from PubChem (CID 112530732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).