(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one

C8H16N2O — CID 59884179

IUPAC(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)[C@@H]1NC(C)(C)NC1=O
InChIInChI=1S/C8H16N2O/c1-5(2)6-7(11)10-8(3,4)9-6/h5-6,9H,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyZZPBEJMYQQJOQH-LURJTMIESA-N
MW156.23 g/mol
LogP0.47
Rot. Bonds1

About (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one

(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 59884179) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one
PubChem CID59884179
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)[C@@H]1NC(C)(C)NC1=O
InChIInChI=1S/C8H16N2O/c1-5(2)6-7(11)10-8(3,4)9-6/h5-6,9H,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyZZPBEJMYQQJOQH-LURJTMIESA-N
XLogP0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2,2,5-trimethylimidazolidin-4-one
CID 13443913
(3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 16726027
(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one
CID 96604555
(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 131543216
(6S,12S,18S,24S)-3,3,6,9,9,12,15,15,18,21,21,24-dodecamethyl-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177434045
(3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one
CID 82388920
(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 82391616
2-methyl-5-propan-2-ylimidazolidin-4-one
CID 55287744
6,6-dimethyl-3-propan-2-ylpiperidin-2-one
CID 157148346
1,1-dioxo-4-propan-2-yl-1,2,5-thiadiazolidin-3-one
CID 19424451
(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one
CID 59884112
5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66107845

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one (CID 59884179) is (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one is CC(C)[C@@H]1NC(C)(C)NC1=O.
What is the InChIKey of (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is ZZPBEJMYQQJOQH-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O/c1-5(2)6-7(11)10-8(3,4)9-6/h5-6,9H,1-4H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one?
(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 156.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 59884179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).