3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C12H18N2O2 — CID 97218148

IUPAC3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC1CCC1
InChIInChI=1S/C12H18N2O2/c15-10-12(6-1-2-7-12)13-11(16)14(10)8-9-4-3-5-9/h9H,1-8H2,(H,13,16)
InChIKeyQGOJHILBONVIRJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.65
Rot. Bonds2

About 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 97218148) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID97218148
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC1CCC1
InChIInChI=1S/C12H18N2O2/c15-10-12(6-1-2-7-12)13-11(16)14(10)8-9-4-3-5-9/h9H,1-8H2,(H,13,16)
InChIKeyQGOJHILBONVIRJ-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 175648066
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 41176811
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70740820
1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
CID 79907372
4-(cyclobutylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65462286
3-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355073
10-(cyclobutylmethyl)-9-methyl-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 65462898
3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 165431747
4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64532844

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 97218148) is 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is QGOJHILBONVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-10-12(6-1-2-7-12)13-11(16)14(10)8-9-4-3-5-9/h9H,1-8H2,(H,13,16).
What are the key properties of 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 97218148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).