[2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea

C13H24N4O2 — CID 166804685

IUPAC[2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
SMILESCN1CCCC2(CCN(C(=O)CNC(N)=O)CC2)C1
InChIInChI=1S/C13H24N4O2/c1-16-6-2-3-13(10-16)4-7-17(8-5-13)11(18)9-15-12(14)19/h2-10H2,1H3,(H3,14,15,19)
InChIKeyJFRRRSHUOAHFCY-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.01
Rot. Bonds2

About [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea

[2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea (PubChem CID 166804685) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
PubChem CID166804685
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name[2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
SMILESCN1CCCC2(CCN(C(=O)CNC(N)=O)CC2)C1
InChIInChI=1S/C13H24N4O2/c1-16-6-2-3-13(10-16)4-7-17(8-5-13)11(18)9-15-12(14)19/h2-10H2,1H3,(H3,14,15,19)
InChIKeyJFRRRSHUOAHFCY-UHFFFAOYSA-N
XLogP-0.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea?
The IUPAC name of [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea (CID 166804685) is [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea.
What is the SMILES notation for [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea?
The canonical SMILES for [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea is CN1CCCC2(CCN(C(=O)CNC(N)=O)CC2)C1.
What is the InChIKey of [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea?
The InChIKey is JFRRRSHUOAHFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-16-6-2-3-13(10-16)4-7-17(8-5-13)11(18)9-15-12(14)19/h2-10H2,1H3,(H3,14,15,19).
What are the key properties of [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea?
[2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea has a molecular weight of 268.36 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea is sourced from PubChem (CID 166804685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).