4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one

C8H15N3O — CID 157339972

IUPAC4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)N(C)C(=O)N1C
InChIInChI=1S/C8H15N3O/c1-5(2)6-7(9)11(4)8(12)10(6)3/h5-6,9H,1-4H3/b9-7-
InChIKeyBGGZXLQAZJNZCF-CLFYSBASSA-N
MW169.23 g/mol
LogP0.99
Rot. Bonds1

About 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one

4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one (PubChem CID 157339972) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one
PubChem CID157339972
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)N(C)C(=O)N1C
InChIInChI=1S/C8H15N3O/c1-5(2)6-7(9)11(4)8(12)10(6)3/h5-6,9H,1-4H3/b9-7-
InChIKeyBGGZXLQAZJNZCF-CLFYSBASSA-N
XLogP0.99
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one (CID 157339972) is 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one is [H]/N=C1/C(C(C)C)N(C)C(=O)N1C.
What is the InChIKey of 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one?
The InChIKey is BGGZXLQAZJNZCF-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)6-7(9)11(4)8(12)10(6)3/h5-6,9H,1-4H3/b9-7-.
What are the key properties of 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one?
4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,3-dimethyl-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 157339972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).