[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea

C10H17N3O2 — CID 136578618

IUPAC[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CC2CCC1C2
InChIInChI=1S/C10H17N3O2/c11-10(15)12-4-3-9(14)13-6-7-1-2-8(13)5-7/h7-8H,1-6H2,(H3,11,12,15)
InChIKeyPSCUJRKIINHMHC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.06
Rot. Bonds3

About [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea

[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea (PubChem CID 136578618) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
PubChem CID136578618
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CC2CCC1C2
InChIInChI=1S/C10H17N3O2/c11-10(15)12-4-3-9(14)13-6-7-1-2-8(13)5-7/h7-8H,1-6H2,(H3,11,12,15)
InChIKeyPSCUJRKIINHMHC-UHFFFAOYSA-N
XLogP0.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea?
The IUPAC name of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea (CID 136578618) is [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea.
What is the SMILES notation for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea?
The canonical SMILES for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea is NC(=O)NCCC(=O)N1CC2CCC1C2.
What is the InChIKey of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea?
The InChIKey is PSCUJRKIINHMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-10(15)12-4-3-9(14)13-6-7-1-2-8(13)5-7/h7-8H,1-6H2,(H3,11,12,15).
What are the key properties of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea?
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea has a molecular weight of 211.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea is sourced from PubChem (CID 136578618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).