5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one

C10H16N2O2 — CID 13301242

IUPAC5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one
SMILESC#CCCCN1C(=O)NC(C)(C)C1O
InChIInChI=1S/C10H16N2O2/c1-4-5-6-7-12-8(13)10(2,3)11-9(12)14/h1,8,13H,5-7H2,2-3H3,(H,11,14)
InChIKeyDMTHVKSNXNFAQK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.52
Rot. Bonds3

About 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one

5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one (PubChem CID 13301242) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one
PubChem CID13301242
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one
SMILESC#CCCCN1C(=O)NC(C)(C)C1O
InChIInChI=1S/C10H16N2O2/c1-4-5-6-7-12-8(13)10(2,3)11-9(12)14/h1,8,13H,5-7H2,2-3H3,(H,11,14)
InChIKeyDMTHVKSNXNFAQK-UHFFFAOYSA-N
XLogP0.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one?
The IUPAC name of 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one (CID 13301242) is 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one.
What is the SMILES notation for 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one?
The canonical SMILES for 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one is C#CCCCN1C(=O)NC(C)(C)C1O.
What is the InChIKey of 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one?
The InChIKey is DMTHVKSNXNFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-6-7-12-8(13)10(2,3)11-9(12)14/h1,8,13H,5-7H2,2-3H3,(H,11,14).
What are the key properties of 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one?
5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4-dimethyl-1-pent-4-ynylimidazolidin-2-one is sourced from PubChem (CID 13301242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).