2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone

C11H17N3O — CID 130509583

IUPAC2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)CC2(N)CCCC2)c1
InChIInChI=1S/C11H17N3O/c1-14-7-9(13-8-14)10(15)6-11(12)4-2-3-5-11/h7-8H,2-6,12H2,1H3
InChIKeyQVTFHCBWIIQLDH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.26
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone

2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone (PubChem CID 130509583) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone
PubChem CID130509583
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)CC2(N)CCCC2)c1
InChIInChI=1S/C11H17N3O/c1-14-7-9(13-8-14)10(15)6-11(12)4-2-3-5-11/h7-8H,2-6,12H2,1H3
InChIKeyQVTFHCBWIIQLDH-UHFFFAOYSA-N
XLogP1.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone (CID 130509583) is 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone is Cn1cnc(C(=O)CC2(N)CCCC2)c1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone?
The InChIKey is QVTFHCBWIIQLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-7-9(13-8-14)10(15)6-11(12)4-2-3-5-11/h7-8H,2-6,12H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone?
2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 130509583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).