[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone

C19H26N2O — CID 59744791

IUPAC[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
SMILESCC(C)(C)CCC1(C(=O)c2ccc3[nH]ccc3c2)CCNC1
InChIInChI=1S/C19H26N2O/c1-18(2,3)7-8-19(9-11-20-13-19)17(22)15-4-5-16-14(12-15)6-10-21-16/h4-6,10,12,20-21H,7-9,11,13H2,1-3H3
InChIKeyUBAFWEAUURTRJS-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.16
Rot. Bonds4

About [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone

[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone (PubChem CID 59744791) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
PubChem CID59744791
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
SMILESCC(C)(C)CCC1(C(=O)c2ccc3[nH]ccc3c2)CCNC1
InChIInChI=1S/C19H26N2O/c1-18(2,3)7-8-19(9-11-20-13-19)17(22)15-4-5-16-14(12-15)6-10-21-16/h4-6,10,12,20-21H,7-9,11,13H2,1-3H3
InChIKeyUBAFWEAUURTRJS-UHFFFAOYSA-N
XLogP4.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone (CID 59744791) is [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone is CC(C)(C)CCC1(C(=O)c2ccc3[nH]ccc3c2)CCNC1.
What is the InChIKey of [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone?
The InChIKey is UBAFWEAUURTRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-18(2,3)7-8-19(9-11-20-13-19)17(22)15-4-5-16-14(12-15)6-10-21-16/h4-6,10,12,20-21H,7-9,11,13H2,1-3H3.
What are the key properties of [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone?
[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 59744791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).