(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone

C12H19N3O — CID 116608218

IUPAC(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1(CC)CCCN1
InChIInChI=1S/C12H19N3O/c1-3-12(6-5-7-14-12)10(16)11-13-8-9-15(11)4-2/h8-9,14H,3-7H2,1-2H3
InChIKeyBBAFIBNFJZFYHU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds4

About (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone

(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 116608218) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID116608218
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1(CC)CCCN1
InChIInChI=1S/C12H19N3O/c1-3-12(6-5-7-14-12)10(16)11-13-8-9-15(11)4-2/h8-9,14H,3-7H2,1-2H3
InChIKeyBBAFIBNFJZFYHU-UHFFFAOYSA-N
XLogP1.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone (CID 116608218) is (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone is CCn1ccnc1C(=O)C1(CC)CCCN1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is BBAFIBNFJZFYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-12(6-5-7-14-12)10(16)11-13-8-9-15(11)4-2/h8-9,14H,3-7H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone?
(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116608218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).