[(3R)-pyrrolidin-3-yl]urea

C5H11N3O — CID 59286189

IUPAC[(3R)-pyrrolidin-3-yl]urea
SMILESNC(=O)N[C@@H]1CCNC1
InChIInChI=1S/C5H11N3O/c6-5(9)8-4-1-2-7-3-4/h4,7H,1-3H2,(H3,6,8,9)/t4-/m1/s1
InChIKeyXGBULVIMVCHZSV-SCSAIBSYSA-N
MW129.16 g/mol
LogP-0.98
Rot. Bonds1

About [(3R)-pyrrolidin-3-yl]urea

[(3R)-pyrrolidin-3-yl]urea (PubChem CID 59286189) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl]urea
PubChem CID59286189
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name[(3R)-pyrrolidin-3-yl]urea
SMILESNC(=O)N[C@@H]1CCNC1
InChIInChI=1S/C5H11N3O/c6-5(9)8-4-1-2-7-3-4/h4,7H,1-3H2,(H3,6,8,9)/t4-/m1/s1
InChIKeyXGBULVIMVCHZSV-SCSAIBSYSA-N
XLogP-0.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Propylene urea
CID 97832
1-Cyclopropylimidazolidin-2-one
CID 53936882
[(Pyrrolidin-2-yl)methyl]urea
CID 62541812
1-(Propan-2-yl)imidazolidin-2-one
CID 21719015
3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
Urea, (1-ethyl-3-pyrrolidinyl)-
CID 209543
1,5-Dimethylimidazolidin-2-one
CID 11263488
3-Methyl-1-(pyrrolidin-3-yl)urea
CID 22504281
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
(4S)-4-methylimidazolidin-2-one
CID 57202305
1,4-Dimethylimidazolidin-2-one
CID 15646794
1-(Pyrrolidin-3-yl)urea hydrochloride
CID 71757319

Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-3-yl]urea?
The IUPAC name of [(3R)-pyrrolidin-3-yl]urea (CID 59286189) is [(3R)-pyrrolidin-3-yl]urea.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl]urea?
The canonical SMILES for [(3R)-pyrrolidin-3-yl]urea is NC(=O)N[C@@H]1CCNC1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl]urea?
The InChIKey is XGBULVIMVCHZSV-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-5(9)8-4-1-2-7-3-4/h4,7H,1-3H2,(H3,6,8,9)/t4-/m1/s1.
What are the key properties of [(3R)-pyrrolidin-3-yl]urea?
[(3R)-pyrrolidin-3-yl]urea has a molecular weight of 129.16 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl]urea is sourced from PubChem (CID 59286189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).