(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone

C19H24N2O — CID 91642214

IUPAC(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCCC3C3CCC3)[nH]c2c1
InChIInChI=1S/C19H24N2O/c1-12-9-13(2)15-11-17(20-16(15)10-12)19(22)21-8-4-7-18(21)14-5-3-6-14/h9-11,14,18,20H,3-8H2,1-2H3
InChIKeyLDHGWEOIMRXRAH-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.19
Rot. Bonds2

About (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone

(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone (PubChem CID 91642214) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
PubChem CID91642214
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCCC3C3CCC3)[nH]c2c1
InChIInChI=1S/C19H24N2O/c1-12-9-13(2)15-11-17(20-16(15)10-12)19(22)21-8-4-7-18(21)14-5-3-6-14/h9-11,14,18,20H,3-8H2,1-2H3
InChIKeyLDHGWEOIMRXRAH-UHFFFAOYSA-N
XLogP4.19
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,6-dimethyl-1H-indol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 97221613
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one
CID 138996495
(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 87042859
(4,6-dimethyl-1H-indol-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734831
(4aS,8aS)-1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 97239150
1-cyclopropyl-6-(4,6-dimethyl-1H-indole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 75387005
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652
(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979607

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone?
The IUPAC name of (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone (CID 91642214) is (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone is Cc1cc(C)c2cc(C(=O)N3CCCC3C3CCC3)[nH]c2c1.
What is the InChIKey of (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone?
The InChIKey is LDHGWEOIMRXRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12-9-13(2)15-11-17(20-16(15)10-12)19(22)21-8-4-7-18(21)14-5-3-6-14/h9-11,14,18,20H,3-8H2,1-2H3.
What are the key properties of (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone?
(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone has a molecular weight of 296.41 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 91642214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).