1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one

C13H21N3O2 — CID 62916232

IUPAC1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one
SMILESCCCC(CC(=O)N1CCC(O)C1)n1ccnc1
InChIInChI=1S/C13H21N3O2/c1-2-3-11(16-7-5-14-10-16)8-13(18)15-6-4-12(17)9-15/h5,7,10-12,17H,2-4,6,8-9H2,1H3
InChIKeyNJKPMLIWKHQYAA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.21
Rot. Bonds5

About 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one

1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one (PubChem CID 62916232) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one
PubChem CID62916232
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one
SMILESCCCC(CC(=O)N1CCC(O)C1)n1ccnc1
InChIInChI=1S/C13H21N3O2/c1-2-3-11(16-7-5-14-10-16)8-13(18)15-6-4-12(17)9-15/h5,7,10-12,17H,2-4,6,8-9H2,1H3
InChIKeyNJKPMLIWKHQYAA-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one (CID 62916232) is 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one is CCCC(CC(=O)N1CCC(O)C1)n1ccnc1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one?
The InChIKey is NJKPMLIWKHQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-3-11(16-7-5-14-10-16)8-13(18)15-6-4-12(17)9-15/h5,7,10-12,17H,2-4,6,8-9H2,1H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one?
1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one is sourced from PubChem (CID 62916232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).