(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone

C14H16N2O — CID 4207786

IUPAC(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCn1cc(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c1-15-10-12(11-6-2-3-7-13(11)15)14(17)16-8-4-5-9-16/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyYVDDBDUTVXISBZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.41
Rot. Bonds1

About (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone

(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 4207786) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID4207786
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCn1cc(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c1-15-10-12(11-6-2-3-7-13(11)15)14(17)16-8-4-5-9-16/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyYVDDBDUTVXISBZ-UHFFFAOYSA-N
XLogP2.41
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
CID 113207907
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 172654558
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone (CID 4207786) is (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone is Cn1cc(C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is YVDDBDUTVXISBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15-10-12(11-6-2-3-7-13(11)15)14(17)16-8-4-5-9-16/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 228.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4207786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).