1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one

C10H17N3O3 — CID 78942549

IUPAC1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCC[C@H]1CO)N1CCNC1=O
InChIInChI=1S/C10H17N3O3/c14-7-8-2-1-4-12(8)6-9(15)13-5-3-11-10(13)16/h8,14H,1-7H2,(H,11,16)/t8-/m0/s1
InChIKeyIKMFOWOYYYGIIR-QMMMGPOBSA-N
MW227.26 g/mol
LogP-1.01
Rot. Bonds3

About 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one

1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 78942549) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
PubChem CID78942549
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCC[C@H]1CO)N1CCNC1=O
InChIInChI=1S/C10H17N3O3/c14-7-8-2-1-4-12(8)6-9(15)13-5-3-11-10(13)16/h8,14H,1-7H2,(H,11,16)/t8-/m0/s1
InChIKeyIKMFOWOYYYGIIR-QMMMGPOBSA-N
XLogP-1.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 167844107
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
CID 55209746
1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide
CID 154764432
1-[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 56815905
1-[2-(3-aminopiperidin-1-yl)acetyl]imidazolidin-2-one
CID 61297595
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 78942384
1-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 9403024
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62732356
1-(2-ethylpiperidin-1-yl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116637297

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one (CID 78942549) is 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one is O=C(CN1CCC[C@H]1CO)N1CCNC1=O.
What is the InChIKey of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is IKMFOWOYYYGIIR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-7-8-2-1-4-12(8)6-9(15)13-5-3-11-10(13)16/h8,14H,1-7H2,(H,11,16)/t8-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 227.26 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 78942549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).