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

C8H15N3O — CID 105434190

IUPAC5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCC(C)N1C(=O)NCC12CNC2
InChIInChI=1S/C8H15N3O/c1-6(2)11-7(12)10-5-8(11)3-9-4-8/h6,9H,3-5H2,1-2H3,(H,10,12)
InChIKeyPFSYIVZSAXUIOC-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.24
Rot. Bonds1

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

5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 105434190) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID105434190
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCC(C)N1C(=O)NCC12CNC2
InChIInChI=1S/C8H15N3O/c1-6(2)11-7(12)10-5-8(11)3-9-4-8/h6,9H,3-5H2,1-2H3,(H,10,12)
InChIKeyPFSYIVZSAXUIOC-UHFFFAOYSA-N
XLogP-0.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 75531182
5-cyclopropyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 105433503
3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 83885529
4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 134389583
1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one
CID 83885526
9-propan-2-yl-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434502
4,4-dimethyl-1-propan-2-ylazetidin-2-one
CID 15269781
4,4,5,5-tetramethyl-1,3-di(propan-2-yl)imidazolidin-2-one
CID 167554193
5-methyl-2,5,8-triazaspiro[3.5]nonan-9-one
CID 177042134
5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione
CID 24975158
4-butan-2-yl-3,3,6,6-tetramethyl-1,4-diazepan-5-one
CID 117023527
5-methyl-8-oxa-2,5-diazaspiro[3.5]nonan-6-one
CID 135393280

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one (CID 105434190) is 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one is CC(C)N1C(=O)NCC12CNC2.
What is the InChIKey of 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is PFSYIVZSAXUIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)11-7(12)10-5-8(11)3-9-4-8/h6,9H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one?
5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 169.23 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105434190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).