[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H30N2O — CID 44626834

IUPAC[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCN3CCCC3)c3ccccc23)C1(C)C
InChIInChI=1S/C22H30N2O/c1-21(2)20(22(21,3)4)19(25)17-15-24(14-13-23-11-7-8-12-23)18-10-6-5-9-16(17)18/h5-6,9-10,15,20H,7-8,11-14H2,1-4H3
InChIKeyMQPONNJJCYUNBQ-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.60
Rot. Bonds5

About [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 44626834) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID44626834
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCN3CCCC3)c3ccccc23)C1(C)C
InChIInChI=1S/C22H30N2O/c1-21(2)20(22(21,3)4)19(25)17-15-24(14-13-23-11-7-8-12-23)18-10-6-5-9-16(17)18/h5-6,9-10,15,20H,7-8,11-14H2,1-4H3
InChIKeyMQPONNJJCYUNBQ-UHFFFAOYSA-N
XLogP4.60
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 44626834) is [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CCN3CCCC3)c3ccccc23)C1(C)C.
What is the InChIKey of [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is MQPONNJJCYUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-21(2)20(22(21,3)4)19(25)17-15-24(14-13-23-11-7-8-12-23)18-10-6-5-9-16(17)18/h5-6,9-10,15,20H,7-8,11-14H2,1-4H3.
What are the key properties of [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 338.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyrrolidin-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 44626834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).