1,3-dipyrrolidin-1-ylurea

C9H18N4O — CID 140976479

IUPAC1,3-dipyrrolidin-1-ylurea
SMILESO=C(NN1CCCC1)NN1CCCC1
InChIInChI=1S/C9H18N4O/c14-9(10-12-5-1-2-6-12)11-13-7-3-4-8-13/h1-8H2,(H2,10,11,14)
InChIKeyJLSWNXHRDRASFV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.31
Rot. Bonds2

About 1,3-dipyrrolidin-1-ylurea

1,3-dipyrrolidin-1-ylurea (PubChem CID 140976479) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,3-dipyrrolidin-1-ylurea.

Molecular Properties

Compound Name1,3-dipyrrolidin-1-ylurea
PubChem CID140976479
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1,3-dipyrrolidin-1-ylurea
SMILESO=C(NN1CCCC1)NN1CCCC1
InChIInChI=1S/C9H18N4O/c14-9(10-12-5-1-2-6-12)11-13-7-3-4-8-13/h1-8H2,(H2,10,11,14)
InChIKeyJLSWNXHRDRASFV-UHFFFAOYSA-N
XLogP0.31
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dipyrrolidin-1-ylurea?
The IUPAC name of 1,3-dipyrrolidin-1-ylurea (CID 140976479) is 1,3-dipyrrolidin-1-ylurea.
What is the SMILES notation for 1,3-dipyrrolidin-1-ylurea?
The canonical SMILES for 1,3-dipyrrolidin-1-ylurea is O=C(NN1CCCC1)NN1CCCC1.
What is the InChIKey of 1,3-dipyrrolidin-1-ylurea?
The InChIKey is JLSWNXHRDRASFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c14-9(10-12-5-1-2-6-12)11-13-7-3-4-8-13/h1-8H2,(H2,10,11,14).
What are the key properties of 1,3-dipyrrolidin-1-ylurea?
1,3-dipyrrolidin-1-ylurea has a molecular weight of 198.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyrrolidin-1-ylurea is sourced from PubChem (CID 140976479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).