[1-(azetidin-3-yl)pyrrolidin-3-yl]urea

C8H16N4O — CID 130611267

IUPAC[1-(azetidin-3-yl)pyrrolidin-3-yl]urea
SMILESNC(=O)NC1CCN(C2CNC2)C1
InChIInChI=1S/C8H16N4O/c9-8(13)11-6-1-2-12(5-6)7-3-10-4-7/h6-7,10H,1-5H2,(H3,9,11,13)
InChIKeyGZMDKIXFTBVNDJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-1.30
Rot. Bonds2

About [1-(azetidin-3-yl)pyrrolidin-3-yl]urea

[1-(azetidin-3-yl)pyrrolidin-3-yl]urea (PubChem CID 130611267) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is [1-(azetidin-3-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[1-(azetidin-3-yl)pyrrolidin-3-yl]urea
PubChem CID130611267
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name[1-(azetidin-3-yl)pyrrolidin-3-yl]urea
SMILESNC(=O)NC1CCN(C2CNC2)C1
InChIInChI=1S/C8H16N4O/c9-8(13)11-6-1-2-12(5-6)7-3-10-4-7/h6-7,10H,1-5H2,(H3,9,11,13)
InChIKeyGZMDKIXFTBVNDJ-UHFFFAOYSA-N
XLogP-1.30
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)pyrrolidin-3-yl]urea?
The IUPAC name of [1-(azetidin-3-yl)pyrrolidin-3-yl]urea (CID 130611267) is [1-(azetidin-3-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for [1-(azetidin-3-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for [1-(azetidin-3-yl)pyrrolidin-3-yl]urea is NC(=O)NC1CCN(C2CNC2)C1.
What is the InChIKey of [1-(azetidin-3-yl)pyrrolidin-3-yl]urea?
The InChIKey is GZMDKIXFTBVNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c9-8(13)11-6-1-2-12(5-6)7-3-10-4-7/h6-7,10H,1-5H2,(H3,9,11,13).
What are the key properties of [1-(azetidin-3-yl)pyrrolidin-3-yl]urea?
[1-(azetidin-3-yl)pyrrolidin-3-yl]urea has a molecular weight of 184.24 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 130611267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).