1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione

C13H22N2O3 — CID 165498798

IUPAC1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione
SMILESCCCC1CCC(O)CC1N1CC(=O)N(C)C1=O
InChIInChI=1S/C13H22N2O3/c1-3-4-9-5-6-10(16)7-11(9)15-8-12(17)14(2)13(15)18/h9-11,16H,3-8H2,1-2H3
InChIKeyTXGMXIGRPKAVEZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.21
Rot. Bonds3

About 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione

1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione (PubChem CID 165498798) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione
PubChem CID165498798
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione
SMILESCCCC1CCC(O)CC1N1CC(=O)N(C)C1=O
InChIInChI=1S/C13H22N2O3/c1-3-4-9-5-6-10(16)7-11(9)15-8-12(17)14(2)13(15)18/h9-11,16H,3-8H2,1-2H3
InChIKeyTXGMXIGRPKAVEZ-UHFFFAOYSA-N
XLogP1.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.21
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-(azocan-1-yl)-4-propylcyclohexan-1-ol
CID 165499364
1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one
CID 165492200
3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol
CID 165497907
2-(2-ethyl-5-hydroxycyclohexyl)-4,5-dimethyl-1,2,4-triazol-3-one
CID 165498169
2-propylcyclohexane-1,4-diol
CID 89257932
4-methoxy-3-propylcyclohexan-1-ol
CID 142147619
3,4-dibutylcyclohexan-1-ol
CID 71347162
3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165492179
1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one
CID 165498073
3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one
CID 165498080
(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 71762935
(2S,4R)-1-methyl-2-propylpiperidin-4-ol
CID 130992897

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione (CID 165498798) is 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione is CCCC1CCC(O)CC1N1CC(=O)N(C)C1=O.
What is the InChIKey of 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione?
The InChIKey is TXGMXIGRPKAVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-4-9-5-6-10(16)7-11(9)15-8-12(17)14(2)13(15)18/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione?
1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165498798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).