3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one

C15H23N3O — CID 164633652

IUPAC3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one
SMILESCCC[C@H]1C=CCN1C(=O)CCn1ccnc1CC
InChIInChI=1S/C15H23N3O/c1-3-6-13-7-5-10-18(13)15(19)8-11-17-12-9-16-14(17)4-2/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyVGPMQSTUHRTYHY-ZDUSSCGKSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one (PubChem CID 164633652) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one
PubChem CID164633652
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one
SMILESCCC[C@H]1C=CCN1C(=O)CCn1ccnc1CC
InChIInChI=1S/C15H23N3O/c1-3-6-13-7-5-10-18(13)15(19)8-11-17-12-9-16-14(17)4-2/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyVGPMQSTUHRTYHY-ZDUSSCGKSA-N
XLogP2.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one (CID 164633652) is 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one is CCC[C@H]1C=CCN1C(=O)CCn1ccnc1CC.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one?
The InChIKey is VGPMQSTUHRTYHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-6-13-7-5-10-18(13)15(19)8-11-17-12-9-16-14(17)4-2/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one is sourced from PubChem (CID 164633652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).