2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide

C10H18BrN3O — CID 173105047

IUPAC2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide
SMILESBr.CC(C(=O)N1CCCC1)N1C=CNC1
InChIInChI=1S/C10H17N3O.BrH/c1-9(13-7-4-11-8-13)10(14)12-5-2-3-6-12;/h4,7,9,11H,2-3,5-6,8H2,1H3;1H
InChIKeyPWAYNJNZRZZZBL-UHFFFAOYSA-N
MW276.18 g/mol
LogP0.91
Rot. Bonds2

About 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide

2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide (PubChem CID 173105047) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide.

Molecular Properties

Compound Name2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide
PubChem CID173105047
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide
SMILESBr.CC(C(=O)N1CCCC1)N1C=CNC1
InChIInChI=1S/C10H17N3O.BrH/c1-9(13-7-4-11-8-13)10(14)12-5-2-3-6-12;/h4,7,9,11H,2-3,5-6,8H2,1H3;1H
InChIKeyPWAYNJNZRZZZBL-UHFFFAOYSA-N
XLogP0.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide?
The IUPAC name of 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide (CID 173105047) is 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide.
What is the SMILES notation for 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide?
The canonical SMILES for 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide is Br.CC(C(=O)N1CCCC1)N1C=CNC1.
What is the InChIKey of 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide?
The InChIKey is PWAYNJNZRZZZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.BrH/c1-9(13-7-4-11-8-13)10(14)12-5-2-3-6-12;/h4,7,9,11H,2-3,5-6,8H2,1H3;1H.
What are the key properties of 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide?
2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide has a molecular weight of 276.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one;hydrobromide is sourced from PubChem (CID 173105047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).