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

C22H26N2O — CID 11609691

IUPAC[1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCn3cccc3)c3ccccc23)C1(C)C
InChIInChI=1S/C22H26N2O/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/h5-12,15,20H,13-14H2,1-4H3
InChIKeyMTQZKYPRMZHIBT-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.01
Rot. Bonds5

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

[1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11609691) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is [1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11609691
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name[1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCn3cccc3)c3ccccc23)C1(C)C
InChIInChI=1S/C22H26N2O/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/h5-12,15,20H,13-14H2,1-4H3
InChIKeyMTQZKYPRMZHIBT-UHFFFAOYSA-N
XLogP5.01
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11609691) is [1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(2-pyrrol-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-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is MTQZKYPRMZHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/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/h5-12,15,20H,13-14H2,1-4H3.
What are the key properties of [1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 334.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyrrol-1-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11609691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).