(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone

C10H15N3O — CID 130509568

IUPAC(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone
SMILESCCn1cnc(C(=O)C2CCNC2)c1
InChIInChI=1S/C10H15N3O/c1-2-13-6-9(12-7-13)10(14)8-3-4-11-5-8/h6-8,11H,2-5H2,1H3
InChIKeyIUCKHZFRVQJXNF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.70
Rot. Bonds3

About (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone

(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone (PubChem CID 130509568) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone
PubChem CID130509568
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone
SMILESCCn1cnc(C(=O)C2CCNC2)c1
InChIInChI=1S/C10H15N3O/c1-2-13-6-9(12-7-13)10(14)8-3-4-11-5-8/h6-8,11H,2-5H2,1H3
InChIKeyIUCKHZFRVQJXNF-UHFFFAOYSA-N
XLogP0.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone (CID 130509568) is (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone is CCn1cnc(C(=O)C2CCNC2)c1.
What is the InChIKey of (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is IUCKHZFRVQJXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-13-6-9(12-7-13)10(14)8-3-4-11-5-8/h6-8,11H,2-5H2,1H3.
What are the key properties of (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone?
(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 193.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 130509568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).