3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C18H27N3O3 — CID 175648066

IUPAC3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1CC(CN2C(=O)NC3(CCCCCC3)C2=O)CN1CC1CC1
InChIInChI=1S/C18H27N3O3/c22-15-9-14(11-20(15)10-13-5-6-13)12-21-16(23)18(19-17(21)24)7-3-1-2-4-8-18/h13-14H,1-12H2,(H,19,24)
InChIKeyPWTKPIJYYLDTHV-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.89
Rot. Bonds4

About 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 175648066) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID175648066
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1CC(CN2C(=O)NC3(CCCCCC3)C2=O)CN1CC1CC1
InChIInChI=1S/C18H27N3O3/c22-15-9-14(11-20(15)10-13-5-6-13)12-21-16(23)18(19-17(21)24)7-3-1-2-4-8-18/h13-14H,1-12H2,(H,19,24)
InChIKeyPWTKPIJYYLDTHV-UHFFFAOYSA-N
XLogP1.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355113
3-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 172905886
3-[[1-[(3-ethoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 171337760
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-[[1-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 163355105
4-[(4-methylcyclohexyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970304
4-(chloromethyl)-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 168508195
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
CID 79907372
3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 41176811
3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 165431747

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 175648066) is 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1CC(CN2C(=O)NC3(CCCCCC3)C2=O)CN1CC1CC1.
What is the InChIKey of 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is PWTKPIJYYLDTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-15-9-14(11-20(15)10-13-5-6-13)12-21-16(23)18(19-17(21)24)7-3-1-2-4-8-18/h13-14H,1-12H2,(H,19,24).
What are the key properties of 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 333.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 175648066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).