4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C8H12N4O2 — CID 94339921

IUPAC4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESN[C@H]1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C8H12N4O2/c9-5-1-2-12(4-5)7(13)6-3-10-8(14)11-6/h3,5H,1-2,4,9H2,(H2,10,11,14)/t5-/m0/s1
InChIKeyIXRHJBTUDJSCOA-YFKPBYRVSA-N
MW196.21 g/mol
LogP-1.12
Rot. Bonds1

About 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 94339921) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID94339921
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESN[C@H]1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C8H12N4O2/c9-5-1-2-12(4-5)7(13)6-3-10-8(14)11-6/h3,5H,1-2,4,9H2,(H2,10,11,14)/t5-/m0/s1
InChIKeyIXRHJBTUDJSCOA-YFKPBYRVSA-N
XLogP-1.12
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 94339921) is 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is N[C@H]1CCN(C(=O)c2c[nH]c(=O)[nH]2)C1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is IXRHJBTUDJSCOA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-5-1-2-12(4-5)7(13)6-3-10-8(14)11-6/h3,5H,1-2,4,9H2,(H2,10,11,14)/t5-/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 196.21 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 94339921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).