5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one

C8H13N3O — CID 105433503

IUPAC5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESO=C1NCC2(CNC2)N1C1CC1
InChIInChI=1S/C8H13N3O/c12-7-10-5-8(3-9-4-8)11(7)6-1-2-6/h6,9H,1-5H2,(H,10,12)
InChIKeyOBYLFKZGWHZYSB-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.48
Rot. Bonds1

About 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one

5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 105433503) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID105433503
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESO=C1NCC2(CNC2)N1C1CC1
InChIInChI=1S/C8H13N3O/c12-7-10-5-8(3-9-4-8)11(7)6-1-2-6/h6,9H,1-5H2,(H,10,12)
InChIKeyOBYLFKZGWHZYSB-UHFFFAOYSA-N
XLogP-0.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-1-piperidin-4-yl-7-oxa-1,3-diazaspiro[4.4]nonan-2-one
CID 99727914
5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 75531182
5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one
CID 105434190
7-cyclohexyl-7,9-diazaspiro[5.6]dodecan-8-one
CID 163215558
(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 125453636
4-cyclopropyl-9-methyl-2,4-diazaspiro[5.5]undecane-3,5-dione
CID 113310631
1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 83897503
1-cyclopropyl-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one
CID 115067102
6,6-diamino-1-piperidin-4-yl-1,3-diazinane-2,4-dione
CID 91164049
1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane
CID 162741869
(4R)-3-cyclopropyl-4-hydroxy-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 674436
4-cyclopropyl-1,2,4-triazolidine-3,5-dione
CID 100941497

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one (CID 105433503) is 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one is O=C1NCC2(CNC2)N1C1CC1.
What is the InChIKey of 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is OBYLFKZGWHZYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-7-10-5-8(3-9-4-8)11(7)6-1-2-6/h6,9H,1-5H2,(H,10,12).
What are the key properties of 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one?
5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 167.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105433503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).