(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione

C7H12N2O3 — CID 7000133

IUPAC(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCCCO)N1
InChIInChI=1S/C7H12N2O3/c10-4-2-1-3-5-6(11)9-7(12)8-5/h5,10H,1-4H2,(H2,8,9,11,12)/t5-/m1/s1
InChIKeySQKDMDCPJJTKKB-RXMQYKEDSA-N
MW172.18 g/mol
LogP-0.64
Rot. Bonds4

About (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione

(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione (PubChem CID 7000133) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
PubChem CID7000133
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCCCO)N1
InChIInChI=1S/C7H12N2O3/c10-4-2-1-3-5-6(11)9-7(12)8-5/h5,10H,1-4H2,(H2,8,9,11,12)/t5-/m1/s1
InChIKeySQKDMDCPJJTKKB-RXMQYKEDSA-N
XLogP-0.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione (CID 7000133) is (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](CCCCO)N1.
What is the InChIKey of (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione?
The InChIKey is SQKDMDCPJJTKKB-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-4-2-1-3-5-6(11)9-7(12)8-5/h5,10H,1-4H2,(H2,8,9,11,12)/t5-/m1/s1.
What are the key properties of (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione?
(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione has a molecular weight of 172.18 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7000133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).