1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea

C15H18N4O2 — CID 94817434

IUPAC1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H18N4O2/c1-11(14(20)19-7-2-3-8-19)17-15(21)18-13-6-4-5-12(9-13)10-16/h4-6,9,11H,2-3,7-8H2,1H3,(H2,17,18,21)/t11-/m1/s1
InChIKeyORZDFCBTCIPFFF-LLVKDONJSA-N
MW286.33 g/mol
LogP1.69
Rot. Bonds3

About 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea

1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea (PubChem CID 94817434) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
PubChem CID94817434
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H18N4O2/c1-11(14(20)19-7-2-3-8-19)17-15(21)18-13-6-4-5-12(9-13)10-16/h4-6,9,11H,2-3,7-8H2,1H3,(H2,17,18,21)/t11-/m1/s1
InChIKeyORZDFCBTCIPFFF-LLVKDONJSA-N
XLogP1.69
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea (CID 94817434) is 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea is C[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)N1CCCC1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The InChIKey is ORZDFCBTCIPFFF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(14(20)19-7-2-3-8-19)17-15(21)18-13-6-4-5-12(9-13)10-16/h4-6,9,11H,2-3,7-8H2,1H3,(H2,17,18,21)/t11-/m1/s1.
What are the key properties of 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea has a molecular weight of 286.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94817434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).