(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone

C15H18N2O — CID 79036861

IUPAC(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
SMILESCC1(C)CCN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H18N2O/c1-15(2)7-8-17(10-15)14(18)12-9-16-13-6-4-3-5-11(12)13/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyMUKOTKWVHDDUIZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.04
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone

(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone (PubChem CID 79036861) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
PubChem CID79036861
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
SMILESCC1(C)CCN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H18N2O/c1-15(2)7-8-17(10-15)14(18)12-9-16-13-6-4-3-5-11(12)13/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyMUKOTKWVHDDUIZ-UHFFFAOYSA-N
XLogP3.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 115273190
[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
CID 39378328
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 166303520
3-(2,2-dimethylthiomorpholine-4-carbonyl)-1H-quinolin-4-one
CID 71975257
1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 15952131
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone (CID 79036861) is (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone is CC1(C)CCN(C(=O)c2c[nH]c3ccccc23)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone?
The InChIKey is MUKOTKWVHDDUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2)7-8-17(10-15)14(18)12-9-16-13-6-4-3-5-11(12)13/h3-6,9,16H,7-8,10H2,1-2H3.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone?
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 79036861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).