4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one

C10H15N3O — CID 79967712

IUPAC4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one
SMILESC#CCN1C(=O)N=C(N)C1(C)C(C)C
InChIInChI=1S/C10H15N3O/c1-5-6-13-9(14)12-8(11)10(13,4)7(2)3/h1,7H,6H2,2-4H3,(H2,11,12,14)
InChIKeyWZMXHXBUEPBBSZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.83
Rot. Bonds2

About 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one

4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one (PubChem CID 79967712) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one
PubChem CID79967712
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one
SMILESC#CCN1C(=O)N=C(N)C1(C)C(C)C
InChIInChI=1S/C10H15N3O/c1-5-6-13-9(14)12-8(11)10(13,4)7(2)3/h1,7H,6H2,2-4H3,(H2,11,12,14)
InChIKeyWZMXHXBUEPBBSZ-UHFFFAOYSA-N
XLogP0.83
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one?
The IUPAC name of 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one (CID 79967712) is 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one.
What is the SMILES notation for 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one?
The canonical SMILES for 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one is C#CCN1C(=O)N=C(N)C1(C)C(C)C.
What is the InChIKey of 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one?
The InChIKey is WZMXHXBUEPBBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5-6-13-9(14)12-8(11)10(13,4)7(2)3/h1,7H,6H2,2-4H3,(H2,11,12,14).
What are the key properties of 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one?
4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-5-propan-2-yl-1-prop-2-ynylimidazol-2-one is sourced from PubChem (CID 79967712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).